| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3740 | ChemSep v8.3 pure component data | |
| PAff | 864.70 | kJ/mol | NIST |
| BasG | 834.90 | kJ/mol | NIST |
| ΔcH°liquid | -4794.28 ± 0.75 | kJ/mol | NIST |
| μ | 1.65 | debye | ChemSep v8.3 pure component data |
| ΔfG° | 21.50 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfH°gas | [-125.40; -125.20] | kJ/mol |
|
| ΔfH°gas | -125.40 | kJ/mol | ChemSep v8.3 pure component data |
| ΔfH°gas | -125.20 | kJ/mol | NIST |
| ΔfH°liquid | -169.80 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.50; 44.70] | kJ/mol |
|
| ΔvapH° | 44.23 | kJ/mol | NIST |
| ΔvapH° | 44.20 | kJ/mol | NIST |
| ΔvapH° | 44.50 | kJ/mol | NIST |
| ΔvapH° | Outlier 39.50 | kJ/mol | NIST |
| ΔvapH° | 44.70 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 44.60 | kJ/mol | NIST |
| IE | [8.30; 10.90] | eV |
|
| IE | 8.45 ± 0.05 | eV | NIST |
| IE | 10.90 | eV | NIST |
| IE | 8.30 ± 0.02 | eV | NIST |
| IE | 8.34 | eV | NIST |
| IE | 8.34 | eV | NIST |
| log10WS | [-2.58; -2.58] |
|
|
| log10WS | -2.58 | Aq. Solubility Prediction | |
| log10WS | -2.58 | Estimated Solubility | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3080.00 | kPa | ChemSep v8.3 pure component data |
| Ptriple | 4.40e-07 | kPa | ChemSep v8.3 pure component data |
| Inp | [872.00; 897.00] |
|
|
| Inp | 891.20 | NIST | |
| Inp | 896.70 | NIST | |
| Inp | 884.80 | NIST | |
| Inp | 887.40 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 879.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | Outlier 872.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | 891.20 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 878.00 | NIST | |
| Inp | 888.00 | NIST | |
| I | [1069.00; 1101.00] |
|
|
| I | 1080.50 | NIST | |
| I | 1091.00 | NIST | |
| I | 1101.00 | NIST | |
| I | 1093.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1069.00 | NIST | |
| S°liquid | 338.28 | J/mol×K | NIST |
| Tboil | [412.00; 416.00] | K |
|
| Tboil | 415.98 | K | ChemSep v8.3 pure component data |
| Tboil | 415.60 | K | NIST |
| Tboil | 416.00 | K | NIST |
| Tboil | 415.85 ± 0.20 | K | NIST |
| Tboil | 416.00 ± 0.40 | K | NIST |
| Tboil | 414.70 ± 0.50 | K | NIST |
| Tboil | 414.65 ± 0.50 | K | NIST |
| Tboil | 415.60 ± 0.50 | K | NIST |
| Tboil | 415.00 ± 2.00 | K | NIST |
| Tboil | Outlier 412.00 ± 2.00 | K | NIST |
| Tboil | 414.00 ± 0.50 | K | NIST |
| Tboil | 414.00 ± 0.50 | K | NIST |
| Tc | 608.00 | K | ChemSep v8.3 pure component data |
| Tfus | [170.55; 170.65] | K |
|
| Tfus | 170.55 | K | ChemSep v8.3 pure component data |
| Tfus | 170.65 | K | Aq. Solubility Prediction |
| Ttriple | [170.43; 170.44] | K |
|
| Ttriple | 170.44 | K | ChemSep v8.3 pure component data |
| Ttriple | 170.43 ± 0.05 | K | NIST |
| Ttriple | 170.44 ± 0.03 | K | NIST |
| Ttriple | 170.43 ± 0.05 | K | NIST |
| Ttriple | 170.44 ± 0.03 | K | NIST |
| UQi | 4.38 | ChemSep v8.3 pure component data | |
| URi | 5.21 | ChemSep v8.3 pure component data | |
| Vc | 0.412 | m3/kmol | ChemSep v8.3 pure component data |
| Zc | 0.2510000 | ChemSep v8.3 pure component data | |
| Zra | 0.25 | ChemSep v8.3 pure component data |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [225.48; 237.90] | J/mol×K | [298.15; 300.00] | |
| Cp,liquid | 225.48 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 237.90 | J/mol×K | 300.00 | NIST |
| ΔfusH | [12.13; 12.14] | kJ/mol | [170.40; 170.44] | |
| ΔfusH | 12.13 | kJ/mol | 170.40 | NIST |
| ΔfusH | 12.14 | kJ/mol | 170.40 | NIST |
| ΔfusH | 12.14 | kJ/mol | 170.44 | NIST |
| ΔfusH | 12.14 | kJ/mol | 170.44 | NIST |
| ΔvapH | [36.60; 42.90] | kJ/mol | [362.00; 416.00] | |
| ΔvapH | 42.90 | kJ/mol | 362.00 | NIST |
| ΔvapH | 40.60 | kJ/mol | 390.00 | NIST |
| ΔvapH | 36.60 | kJ/mol | 416.00 | NIST |
| ΔfusS | [71.24; 71.24] | J/mol×K | [170.44; 170.44] | |
| ΔfusS | 71.24 | J/mol×K | 170.44 | NIST |
| ΔfusS | 71.24 | J/mol×K | 170.44 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.81; 397.87] | J/mol×K | [273.15; 1500.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.05470e+02 | |||
| Coefficient B | -6.59930e+02 | |||
| Coefficient C | 6.29124e+00 | |||
| Coefficient D | -1.50000e-04 | |||
| Coefficient E | 2.30410e-08 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 151.81 | J/mol×K | 273.15 | Calculated Property |
| Cp,gas | 207.17 | J/mol×K | 409.47 | Calculated Property |
| Cp,gas | 254.94 | J/mol×K | 545.78 | Calculated Property |
| Cp,gas | 292.67 | J/mol×K | 682.10 | Calculated Property |
| Cp,gas | 321.96 | J/mol×K | 818.42 | Calculated Property |
| Cp,gas | 344.79 | J/mol×K | 954.73 | Calculated Property |
| Cp,gas | 362.75 | J/mol×K | 1091.05 | Calculated Property |
| Cp,gas | 377.03 | J/mol×K | 1227.37 | Calculated Property |
| Cp,gas | 388.52 | J/mol×K | 1363.68 | Calculated Property |
| Cp,gas | 397.87 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [203.79; 255.42] | J/mol×K | [170.44; 375.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.65300e+02 | |||
| Coefficient B | 3.30450e+02 | |||
| Coefficient C | -4.56155e-01 | |||
| Coefficient D | 1.42600e-02 | |||
| Coefficient E | -9.04100e-06 | |||
| Comment | ChemSep eq 16, LiquidHeatCapacityCp | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 375.00 | |||
| Cp,liquid | 203.79 | J/mol×K | 170.44 | Calculated Property |
| Cp,liquid | 204.62 | J/mol×K | 193.17 | Calculated Property |
| Cp,liquid | 207.05 | J/mol×K | 215.90 | Calculated Property |
| Cp,liquid | 210.75 | J/mol×K | 238.63 | Calculated Property |
| Cp,liquid | 215.58 | J/mol×K | 261.36 | Calculated Property |
| Cp,liquid | 221.47 | J/mol×K | 284.08 | Calculated Property |
| Cp,liquid | 228.42 | J/mol×K | 306.81 | Calculated Property |
| Cp,liquid | 236.40 | J/mol×K | 329.54 | Calculated Property |
| Cp,liquid | 245.41 | J/mol×K | 352.27 | Calculated Property |
| Cp,liquid | 255.42 | J/mol×K | 375.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0123859; 0.0001334] | Pa×s | [170.44; 508.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.02850e+01 | |||
| Coefficient B | 1.15090e+03 | |||
| Coefficient C | -1.70640e-01 | |||
| Coefficient D | 6.22810e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, LiquidViscosity | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 508.00 | |||
| η | 0.0123859 | Pa×s | 170.44 | Calculated Property |
| η | 0.0035734 | Pa×s | 207.95 | Calculated Property |
| η | 0.0015070 | Pa×s | 245.45 | Calculated Property |
| η | 0.0007998 | Pa×s | 282.96 | Calculated Property |
| η | 0.0004934 | Pa×s | 320.47 | Calculated Property |
| η | 0.0003376 | Pa×s | 357.97 | Calculated Property |
| η | 0.0002490 | Pa×s | 395.48 | Calculated Property |
| η | 0.0001943 | Pa×s | 432.99 | Calculated Property |
| η | 0.0001583 | Pa×s | 470.49 | Calculated Property |
| η | 0.0001334 | Pa×s | 508.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [50.50; 16.79] | kJ/mol | [170.44; 584.97] |
ChemSep v8.3 pure component data
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 5.75750e+01 | |||
| Coefficient B | 3.83340e-01 | |||
| Coefficient C | 9.83970e-02 | |||
| Coefficient D | -1.72330e-01 | |||
| Coefficient E | 6.51590e-02 | |||
| Critical temperature, Tc (K) | 6.08000e+02 | |||
| Comment | ChemSep eq 106, HeatOfVaporization | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 584.97 | |||
| ΔvapH | 50.50 | kJ/mol | 170.44 | Calculated Property |
| ΔvapH | 48.29 | kJ/mol | 216.50 | Calculated Property |
| ΔvapH | 45.95 | kJ/mol | 262.56 | Calculated Property |
| ΔvapH | 43.45 | kJ/mol | 308.62 | Calculated Property |
| ΔvapH | 40.74 | kJ/mol | 354.68 | Calculated Property |
| ΔvapH | 37.76 | kJ/mol | 400.73 | Calculated Property |
| ΔvapH | 34.38 | kJ/mol | 446.79 | Calculated Property |
| ΔvapH | 30.36 | kJ/mol | 492.85 | Calculated Property |
| ΔvapH | 25.17 | kJ/mol | 538.91 | Calculated Property |
| ΔvapH | 16.79 | kJ/mol | 584.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [308.78; 440.91] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48928e+01 | |||
| Coefficient B | -3.68038e+03 | |||
| Coefficient C | -5.67920e+01 | |||
| Temperature range, min. | 308.78 | |||
| Temperature range, max. | 440.91 | |||
| Pvap | 1.33 | kPa | 308.78 | Calculated Property |
| Pvap | 2.98 | kPa | 323.46 | Calculated Property |
| Pvap | 6.12 | kPa | 338.14 | Calculated Property |
| Pvap | 11.71 | kPa | 352.82 | Calculated Property |
| Pvap | 21.07 | kPa | 367.50 | Calculated Property |
| Pvap | 35.95 | kPa | 382.19 | Calculated Property |
| Pvap | 58.59 | kPa | 396.87 | Calculated Property |
| Pvap | 91.69 | kPa | 411.55 | Calculated Property |
| Pvap | 138.47 | kPa | 426.23 | Calculated Property |
| Pvap | 202.63 | kPa | 440.91 | Calculated Property |
| Pvap | [9.93e-08; 4646.41] | kPa | [170.44; 608.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42730e+02 | |||
| Coefficient B | -1.02516e+04 | |||
| Coefficient C | -1.93067e+01 | |||
| Coefficient D | 1.71365e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 608.00 | |||
| Pvap | 9.93e-08 | kPa | 170.44 | Calculated Property |
| Pvap | 6.78e-04 | kPa | 219.06 | Calculated Property |
| Pvap | 0.10 | kPa | 267.68 | Calculated Property |
| Pvap | 2.44 | kPa | 316.29 | Calculated Property |
| Pvap | 20.40 | kPa | 364.91 | Calculated Property |
| Pvap | 94.82 | kPa | 413.53 | Calculated Property |
| Pvap | 312.13 | kPa | 462.15 | Calculated Property |
| Pvap | 840.75 | kPa | 510.76 | Calculated Property |
| Pvap | 2028.11 | kPa | 559.38 | Calculated Property |
| Pvap | 4646.41 | kPa | 608.00 | Calculated Property |
| Pvap | [0.13; 3207.58] | kPa | [270.15; 609.73] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.02676e+02 | |||
| Coefficient B | -8.82408e+03 | |||
| Coefficient C | -1.29840e+01 | |||
| Coefficient D | 8.43544e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 270.15 | |||
| Temperature range, max. | 609.73 | |||
| Pvap | 0.13 | kPa | 270.15 | Calculated Property |
| Pvap | 1.52 | kPa | 307.88 | Calculated Property |
| Pvap | 9.55 | kPa | 345.61 | Calculated Property |
| Pvap | 38.70 | kPa | 383.34 | Calculated Property |
| Pvap | 116.24 | kPa | 421.07 | Calculated Property |
| Pvap | 282.82 | kPa | 458.81 | Calculated Property |
| Pvap | 592.42 | kPa | 496.54 | Calculated Property |
| Pvap | 1114.75 | kPa | 534.27 | Calculated Property |
| Pvap | 1942.89 | kPa | 572.00 | Calculated Property |
| Pvap | 3207.58 | kPa | 609.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [932.94; 472.53] | kg/m3 | [170.44; 584.97] |
ChemSep v8.3 pure component data
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 7.83887e+01 | |||
| Coefficient B | 2.73130e-01 | |||
| Coefficient C | 6.08000e+02 | |||
| Coefficient D | 2.92240e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 584.97 | |||
| ρl | 932.94 | kg/m3 | 170.44 | Calculated Property |
| ρl | 898.42 | kg/m3 | 216.50 | Calculated Property |
| ρl | 862.34 | kg/m3 | 262.56 | Calculated Property |
| ρl | 824.35 | kg/m3 | 308.62 | Calculated Property |
| ρl | 783.93 | kg/m3 | 354.68 | Calculated Property |
| ρl | 740.32 | kg/m3 | 400.73 | Calculated Property |
| ρl | 692.28 | kg/m3 | 446.79 | Calculated Property |
| ρl | 637.48 | kg/m3 | 492.85 | Calculated Property |
| ρl | 570.70 | kg/m3 | 538.91 | Calculated Property |
| ρl | 472.53 | kg/m3 | 584.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 8.54e-04] | N/m | [170.44; 584.97] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -1.67470e-02 | |||
| Coefficient B | 1.68810e+01 | |||
| Coefficient C | -2.76670e+00 | |||
| Coefficient D | -7.67370e-04 | |||
| Coefficient E | -2.49300e-06 | |||
| Comment | ChemSep eq 16, SurfaceTension | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 584.97 | |||
| γ | 0.04 | N/m | 170.44 | Calculated Property |
| γ | 0.03 | N/m | 216.50 | Calculated Property |
| γ | 0.03 | N/m | 262.56 | Calculated Property |
| γ | 0.02 | N/m | 308.62 | Calculated Property |
| γ | 0.02 | N/m | 354.68 | Calculated Property |
| γ | 0.02 | N/m | 400.73 | Calculated Property |
| γ | 0.01 | N/m | 446.79 | Calculated Property |
| γ | 0.01 | N/m | 492.85 | Calculated Property |
| γ | 0.00 | N/m | 538.91 | Calculated Property |
| γ | 8.54e-04 | N/m | 584.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.00; 0.08] | W/m×K | [170.44; 1000.00] |
ChemSep v8.3 pure component data
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K | |||
| Coefficient A | 8.61510e-03 | |||
| Coefficient B | 4.87060e-01 | |||
| Coefficient C | 1.64860e+03 | |||
| Coefficient D | 4.89220e+05 | |||
| Comment | ChemSep eq 102, VaporThermalConductivity | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 1000.00 | |||
| λ | 0.00 | W/m×K | 170.44 | Calculated Property |
| λ | 0.01 | W/m×K | 262.61 | Calculated Property |
| λ | 0.02 | W/m×K | 354.79 | Calculated Property |
| λ | 0.02 | W/m×K | 446.96 | Calculated Property |
| λ | 0.03 | W/m×K | 539.13 | Calculated Property |
| λ | 0.04 | W/m×K | 631.31 | Calculated Property |
| λ | 0.05 | W/m×K | 723.48 | Calculated Property |
| λ | 0.06 | W/m×K | 815.65 | Calculated Property |
| λ | 0.07 | W/m×K | 907.83 | Calculated Property |
| λ | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λ | [0.16; 0.10] | W/m×K | [170.44; 415.98] |
ChemSep v8.3 pure component data
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K | |||
| Coefficient A | -7.81090e-02 | |||
| Coefficient B | 7.17330e+00 | |||
| Coefficient C | -1.42310e+00 | |||
| Coefficient D | -9.76390e-05 | |||
| Coefficient E | -1.54650e-06 | |||
| Comment | ChemSep eq 16, LiquidThermalConductivity | |||
| Temperature range, min. | 170.44 | |||
| Temperature range, max. | 415.98 | |||
| λ | 0.16 | W/m×K | 170.44 | Calculated Property |
| λ | 0.15 | W/m×K | 197.72 | Calculated Property |
| λ | 0.15 | W/m×K | 225.00 | Calculated Property |
| λ | 0.14 | W/m×K | 252.29 | Calculated Property |
| λ | 0.14 | W/m×K | 279.57 | Calculated Property |
| λ | 0.13 | W/m×K | 306.85 | Calculated Property |
| λ | 0.12 | W/m×K | 334.13 | Calculated Property |
| λ | 0.12 | W/m×K | 361.42 | Calculated Property |
| λ | 0.11 | W/m×K | 388.70 | Calculated Property |
| λ | 0.10 | W/m×K | 415.98 | Calculated Property |
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