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Substance Property Data

Computed property data for industrial process chemicals, as machine-readable JSON: concentration × temperature grids (density, dynamic viscosity, specific heat capacity) for aqueous solutions — with freezing-point tables for the freeze-protection fluids and °Brix for sucrose; saturation tables (pressure, liquid and vapour density) for refrigerants and pure fluids, including bubble/dew-point data for zeotropic blends; single-phase pressure × temperature grids (density, isobaric heat capacity, dynamic viscosity) for compressed industrial and utility gases, up to 700 bar for hydrogen; water/steam tables from the IAPWS-95 formulation — a full saturation table (0–370 °C, with enthalpy and latent heat) and a superheated-steam grid to 200 bar and 600 °C; and a humid-air psychrometric grid (humidity ratio, wet bulb, dew point, enthalpy) from the ASHRAE RP-1485 formulation.

Published and maintained by ProcessConvert, where each substance has an interactive property explorer: https://www.processconvert.com/substances

Aqueous solutions

Substance Formula CAS Concentration Temperature Properties Model
Sulfuric acid H₂SO₄ 7664-93-9 5–75 wt% 0–75 °C ρ, μ, cp Laliberté (2009)
Sodium hydroxide NaOH 1310-73-2 5–50 wt% 20–100 °C ρ, μ, cp Laliberté (2009)
Hydrochloric acid HCl 7647-01-0 5–35 wt% 0–60 °C ρ, μ, cp Laliberté (2009)
Nitric acid HNO₃ 7697-37-2 5–65 wt% 0–45 °C ρ, μ, cp Laliberté (2009)
Phosphoric acid H₃PO₄ 7664-38-2 5–60 wt% 0–60 °C ρ, μ, cp Laliberté (2009)
Ammonia NH₃ 7664-41-7 5–30 wt% 0–50 °C ρ, μ, cp Laliberté (2009)
Potassium hydroxide KOH 1310-58-3 5–50 wt% 15–40 °C ρ, μ Laliberté (2009)
Acetic acid CH₃COOH 64-19-7 5–80 wt% 15–55 °C ρ, μ Laliberté (2009)
Formic acid HCOOH 64-18-6 5–60 wt% 15–55 °C ρ, μ Laliberté (2009)
Ethylene glycol C₂H₆O₂ 107-21-1 10–60 wt% 0–100 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Propylene glycol C₃H₈O₂ 57-55-6 10–60 wt% 0–100 °C ρ, μ, cp Melinder (2010) via CoolProp
Methanol CH₃OH 67-56-1 10–50 wt% −45–40 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Ethanol C₂H₅OH 64-17-5 10–50 wt% −35–40 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Glycerol C₃H₈O₃ 56-81-5 10–60 wt% −30–40 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Potassium carbonate K₂CO₃ 584-08-7 5–35 wt% −25–40 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Lithium chloride LiCl 7447-41-8 5–20 wt% −40–40 °C ρ, μ, cp, T_f Melinder (2010) via CoolProp
Magnesium chloride MgCl₂ 7786-30-3 5–20 wt% −25–40 °C ρ, cp, T_f Melinder (2010) via CoolProp
Sodium acetate CH₃COONa 127-09-3 5–30 wt% 0–60 °C ρ, μ, cp Laliberté (2009)
Sucrose C₁₂H₂₂O₁₁ 57-50-1 5–50 wt% 15–55 °C ρ, μ, °Bx Laliberté (2009)
Hydrogen peroxide H₂O₂ 7722-84-1 5–50 wt% 0–40 °C ρ Laliberté (2009)
Copper(II) sulfate CuSO₄ 7758-98-7 2–12 wt% 15–60 °C ρ, μ, cp Laliberté (2009)
Zinc sulfate ZnSO₄ 7733-02-0 2–30 wt% 15–55 °C ρ, μ Laliberté (2009)
Nickel sulfate NiSO₄ 7786-81-4 2–22 wt% 15–60 °C ρ, μ, cp Laliberté (2009)
Iron(II) sulfate FeSO₄ 7720-78-7 2–16 wt% 15–25 °C ρ, μ, cp Laliberté (2009)
Iron(III) chloride FeCl₃ 7705-08-0 2–40 wt% 0–35 °C ρ, μ Laliberté (2009)
Sodium chloride NaCl 7647-14-5 2–24 wt% 0–80 °C ρ, μ, cp Laliberté (2009)
Calcium chloride CaCl₂ 10043-52-4 2–34 wt% 0–80 °C ρ, μ, cp Laliberté (2009)
Magnesium sulfate MgSO₄ 7487-88-9 2–20 wt% 15–60 °C ρ, μ, cp Laliberté (2009)
Sodium carbonate Na₂CO₃ 497-19-8 2–14 wt% 20–40 °C ρ, μ, cp Laliberté (2009)
Ammonium sulfate (NH₄)₂SO₄ 7783-20-2 2–40 wt% 15–55 °C ρ, μ Laliberté (2009)
Potassium chloride KCl 7447-40-7 2–20 wt% 5–80 °C ρ, μ, cp Laliberté (2009)
Sodium sulfate Na₂SO₄ 7757-82-6 2–14 wt% 20–60 °C ρ, μ Laliberté (2009)
Aluminium sulfate Al₂(SO₄)₃ 10043-01-3 2–24 wt% 15–60 °C ρ Laliberté (2009)
Ammonium chloride NH₄Cl 12125-02-9 2–24 wt% 15–60 °C ρ, μ Laliberté (2009)
Zinc chloride ZnCl₂ 7646-85-7 5–50 wt% 15–70 °C ρ Laliberté (2009)
Sodium nitrate NaNO₃ 7631-99-4 2–40 wt% 10–60 °C ρ, μ, cp Laliberté (2009)
Potassium nitrate KNO₃ 7757-79-1 2–18 wt% 15–60 °C ρ, μ, cp Laliberté (2009)
Ammonium nitrate NH₄NO₃ 6484-52-2 see file see file ρ, μ Laliberté (2009)
Calcium nitrate Ca(NO₃)₂ 10124-37-5 see file see file ρ, μ Laliberté (2009)
Sodium bicarbonate NaHCO₃ 144-55-8 1–8 wt% 10–50 °C ρ Laliberté (2009)
Manganese sulfate MnSO₄ 7785-87-7 see file 20–25 °C ρ, μ Laliberté (2009)
Barium chloride BaCl₂ 10361-37-2 see file see file ρ, μ Laliberté (2009)

T_f = freezing-point table (concentration → freezing temperature) included in the file. °Bx = degrees Brix derived display (sucrose). "See file" = the JSON file's declared ranges are the authority.

Refrigerants & pure fluids

Saturation tables on a single temperature axis. Single-component fluids carry one saturation pressure column; zeotropic blends carry separate bubble-point and dew-point pressure columns with the computed temperature glide stated — a distinction most published PT charts silently omit. Each file states the fluid's critical point; tables stop short of it. Designation facts (GWP with stated basis per the U.S. EPA Technology Transitions reference table, ANSI/ASHRAE Standard 34 safety classification) are included as cited values.

Fluid Composition / name CAS Temperature Pressure columns Glide (1 atm)
R-134a 1,1,1,2-tetrafluoroethane 811-97-2 −40–60 °C P_sat
R-290 Propane 74-98-6 −40–60 °C P_sat
R-32 Difluoromethane 75-10-5 −40–60 °C P_sat
R-744 Carbon dioxide 124-38-9 −40–25 °C (critical 30.98 °C — see file note) P_sat
R-717 Ammonia (anhydrous) 7664-41-7 −40–60 °C P_sat
R-600a Isobutane 75-28-5 −40–60 °C P_sat
R-410A R-32/125 (50/50) blend blend −40–60 °C P_bubble, P_dew 0.08 K
R-404A R-125/143a/134a blend blend −40–60 °C P_bubble, P_dew 0.75 K
R-407C R-32/125/134a blend blend −40–60 °C P_bubble, P_dew 7.0 K

All files also carry saturated liquid and vapour density columns (bubble-point liquid / dew-point vapour for blends).

Compressed & utility gases

Single-phase properties on a pressure (bar absolute) × temperature (°C) grid: density (kg/m³), isobaric heat capacity (J/kg·K) and dynamic viscosity (µPa·s), computed from each fluid's reference Helmholtz-energy equation of state. Every tabulated state is single-phase; any grid cell that would fall at or inside the two-phase region is null (for the fluids below, the whole window is supercritical, so no cell is null). Each file carries a cited identity block (molar mass, critical point, normal boiling point).

Gas Formula CAS Pressure Temperature Properties Reference EoS
Nitrogen N₂ 7727-37-9 1–500 bar −20–100 °C ρ, cp, μ Span et al. (2000)
Oxygen O₂ 7782-44-7 1–200 bar −20–100 °C ρ, cp, μ Schmidt & Wagner (1985)
Hydrogen H₂ 1333-74-0 1–700 bar (incl. 350/700 bar storage pressures) −20–100 °C ρ, cp, μ Leachman et al. (2009)
Methane CH₄ 74-82-8 1–200 bar −20–100 °C ρ, cp, μ Setzmann & Wagner (1991)
Argon Ar 7440-37-1 1–300 bar −20–100 °C ρ, cp, μ Tegeler, Span & Wagner (1999)
Helium He 7440-59-7 1–300 bar −20–100 °C ρ, cp, μ Ortiz-Vega et al. (2019)

Air (as a pseudo-pure mixture) is planned; it is held pending an approved citable validation source and will be added under the same format.

Water & steam

One file (data/water-steam.json) from the IAPWS-95 reference formulation (Wagner & Pruß 2002, via CoolProp), checked against IAPWS-IF97 published verification values and NIST WebBook:

  • Saturation table — 0–370 °C (5° steps to 100 °C, 10° steps above; the critical point, 373.946 °C / 22,064 kPa, is stated and the table stops short of it). Columns: saturation pressure (kPa), saturated liquid and vapour density (kg/m³), liquid and vapour enthalpy and the latent heat of vaporisation h_fg (kJ/kg), liquid and vapour entropy (kJ/kg·K).
  • Superheated grid — 1–200 bar (absolute) × 100–600 °C: density, enthalpy and entropy. Any grid cell at or below the saturation temperature for that pressure is null (the state there is saturated or liquid water, not superheated steam).
  • Reference-state note: enthalpy and entropy follow the IAPWS convention — internal energy and entropy are zero for saturated liquid at the triple point (0.01 °C). Values from tables built on a different datum are not directly comparable.

Humid air (psychrometrics)

One file (data/humid-air.json) from the ASHRAE RP-1485 real-moist-air formulation (Herrmann, Kretzschmar & Gatley 2009, via CoolProp HAPropsSI):

  • Grid: dry-bulb 0–50 °C (5° steps) × relative humidity 10–100 % (10 % steps), at sea-level pressure (101.325 kPa). Columns: humidity ratio W (g water vapour / kg dry air), thermodynamic wet-bulb temperature (°C), dew-point temperature (°C), and moist-air specific enthalpy (kJ / kg dry air).
  • Reference-state note: enthalpy is per kilogram of dry air on the ASHRAE convention — the enthalpy of dry air and of liquid water are both zero at 0 °C.
  • Sub-zero dew points at the cold–dry corner are over-water values (indicative); the ice line is not included in this version.

Each file declares its own valid ranges; values are tabulated only inside the published validity region of the underlying model, bounded below saturation for the aqueous salts, below the critical point for the saturation tables, and single-phase for the gas grids. No extrapolation. Honest-omission conventions: where a property column is absent from a table above, the model provides no usable coefficients for that property over the tabulated range — the value is omitted rather than approximated; for the sub-zero heat-transfer fluids, grid cells below the solution's freezing line at that concentration are null.

How the values are produced

No value in this repository is hand-authored. Grids are computed by a deterministic offline pipeline from established published models:

  • Laliberté, M. (2009). "A Model for Calculating the Heat Capacity of Aqueous Solutions, with Updated Density and Viscosity Data." Journal of Chemical & Engineering Data, 54(6), 1725–1760 — via the thermo/chemicals Python libraries.
  • Melinder, Å. (2010). Properties of Secondary Working Fluids for Indirect Systems, IIR — via CoolProp incompressible solutions.
  • CoolProp reference Helmholtz-energy equations of state, mixture models and transport-property correlations (Bell et al., 2014, Ind. Eng. Chem. Res. 53(6)) for the pure fluids, refrigerant blends and compressed gases — saturation and compressed-state points checked against NIST WebBook (SRD 69) published values for single-component fluids, and named manufacturer engineering tables (REFPROP-derived) for blends.

Every file carries validation entries: independently cited reference points (property, state point, expected value, tolerance, source citation — CRC Handbook 97th ed., Perry's, ICT, NBS Circular 440, NIST WebBook, named manufacturer saturation tables) that the generated data is checked against before publication. A value that fails that check is not published. Full methodology: https://www.processconvert.com/methodology

File formats

Aqueous solutions — one JSON per substance:

name, formula, cas, aliases      identification
axes                             concentrations (wt%), temperatures (°C)
grid                             rho / mu / cp arrays, rows = concentration, cols = temperature
                                 (mu/cp absent where the model has no coefficients;
                                  cells are null below the freezing line)
freeze_points                    concentration -> freezing point (°C), where present
concentration_range,
temperature_range                declared validity window
model, sources, validation,
validity_note, generated         provenance and checks

Pure fluids (saturation) — one JSON per fluid:

name, formula, cas, designation  identification (refrigerant designation)
axes.temp_C                      single temperature axis (°C)
sat                              single-component: p_sat_kPa / rho_liq / rho_vap
                                 blends: p_bubble_kPa / p_dew_kPa / rho_liq / rho_vap
blend                            blends only: components, composition, computed glide (K)
critical                         critical temperature (°C) and pressure (kPa)
gwp, ashrae34                    cited designation facts (value, basis, citation)
model, sources, validation,
validity_note, generated         provenance and checks

Compressed gases — one JSON per gas:

name, formula, cas               identification
axes                             pressure_bar (absolute), temp_C
grid                             rho / cp / mu arrays, rows = pressure, cols = temperature
                                 (mu in µPa·s; any two-phase/liquid state is null)
identity                         molar mass, critical T and P, normal boiling point (cited)
boundary_note                    single-phase rule as applied to this fluid
model, sources, validation,
validity_note, generated         provenance and checks

Water & steam — one JSON (water-steam.json):

name, formula, cas               identification
saturation.temp_C                saturation temperature axis (°C)
saturation                       p_sat_kPa / rho_liq / rho_vap / h_f / h_g / h_fg / s_f / s_g
superheated.axes                 pressure_bar (absolute) × temp_C
superheated.grid                 rho / h / s arrays (cells at or below saturation are null)
datum                            IAPWS reference-state provenance (u = s = 0, sat. liquid, triple point)
critical                         critical temperature (°C) and pressure (kPa)
model, sources, validation,
validity_note, generated         provenance and checks

Humid air — one JSON (humid-air.json):

name                             identification (moist air)
axes                             temp_db_C (dry bulb), rh_percent; pressure fixed at 101.325 kPa
grid                             W (g/kg dry air) / t_wb / t_dp / h (kJ/kg dry air) arrays
datum                            ASHRAE reference state (dry air and liquid water enthalpy zero at 0 °C)
model, sources, validation,
validity_note, generated         provenance and checks

Example (Python)

import json

with open("data/hydrogen.json") as f:
    s = json.load(f)

p = s["axes"]["pressure_bar"].index(700)
t = s["axes"]["temp_C"].index(25)

# Hydrogen density at 700 bar, 25 °C (kg/m³)
print(s["grid"]["rho"][p][t])

Interpolation between points is appropriate inside the declared ranges (bilinear for the concentration and pressure grids, linear along the saturation line for pure fluids); do not interpolate across null cells and do not extrapolate beyond the declared ranges or toward the critical point.

Intended use and limitations

This data is published as an engineering reference for preliminary calculations, teaching and software development. It is not a substitute for project-specific data, vendor data sheets, or the judgement of a qualified engineer, and it carries no warranty. Always confirm safety-critical values against primary sources.

License and attribution

Data is licensed CC BY 4.0. You may use, redistribute and adapt it, including commercially, provided you attribute:

Substance property data from ProcessConvert (https://www.processconvert.com), computed from Laliberté (2009), Melinder (2010) and CoolProp reference equations of state, CC BY 4.0.

When citing the underlying science, cite the original papers above.

Errors

If a value looks wrong, please open an issue or email hello@processconvert.com — concrete reports ("file X, 30 wt% at 25 °C shows Y, expected Z because…") are especially helpful.

About

Computed density, viscosity and heat capacity grids for industrial process chemicals in aqueous solution. CC BY 4.0.

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