| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.1001; 0.1220] |
|
|
| ω | 0.1001 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.1220 | KDB | |
| Tig | 745.37 | K | KDB |
| μ | [1.45; 1.45] | debye |
|
| μ | 1.45 | debye | ChemSep v8.3 pure component data Compiled value |
| μ | 1.45 | debye | KDB |
| LFL | 4.00 | % in Air | KDB |
| UFL | 26.00 | % in Air | KDB |
| Tflash,cc | 194.26 | K | KDB |
| ΔfG° | [41.95; 51.54] | kJ/mol |
|
| ΔfG° | 41.95 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 51.54 | kJ/mol | KDB |
| ΔfH°gas | [21.00; 38.10] | kJ/mol |
|
| ΔfH°gas | 28.45 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | 35.17 | kJ/mol | KDB |
| ΔfH°gas | 22.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | 29.00 | kJ/mol | NIST |
| ΔfH°gas | 21.00 | kJ/mol | NIST |
| ΔfH°gas | 35.30 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | 38.10 ± 0.84 | kJ/mol | NIST |
| ΔfH°liquid | 0.90 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 3.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.00 ± 1.00 | kJ/mol | NIST |
| IE | [9.98; 10.20] | eV |
|
| IE | 9.99 ± 0.02 | eV | NIST |
| IE | 9.98 ± 0.02 | eV | NIST |
| IE | 9.99 ± 0.02 | eV | NIST |
| IE | 10.01 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.00 ± 0.01 | eV | NIST |
| IE | 10.00 ± 0.01 | eV | NIST |
| IE | 10.00 ± 0.02 | eV | NIST |
| IE | 10.00 ± 0.01 | eV | NIST |
| IE | 9.99 | eV | NIST |
| IE | 10.00 ± 0.01 | eV | NIST |
| IE | Outlier 10.20 | eV | NIST |
| IE | Outlier 10.20 | eV | NIST |
| IE | 10.15 | eV | NIST |
| log10WS | [-1.75; -1.75] |
|
|
| log10WS | -1.75 | Aq. Solubility Prediction | |
| log10WS | -1.75 | Estimated Solubility | |
| logPoct/wat | 1.369 | Crippen Calculated Property | |
| McVol | 46.980 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 4 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 2 | KDB | |
| Pc | [5155.00; 5670.00] | kPa |
|
| Pc | 5670.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 5155.00 | kPa | KDB |
| Ptriple | 1.92e-05 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [353.00; 378.00] |
|
|
| Inp | 362.00 | NIST | |
| Inp | 363.00 | NIST | |
| Inp | 364.00 | NIST | |
| Inp | 366.00 | NIST | |
| Inp | 366.00 | NIST | |
| Inp | Outlier 378.00 | NIST | |
| Inp | 353.00 | NIST | |
| Inp | 353.00 | NIST | |
| Inp | 366.00 | NIST | |
| Ip | [505.00; 603.00] |
|
|
| Ip | 603.00 | NIST | |
| Ip | 505.00 | NIST | |
| Ip | 603.00 | NIST | |
| S°liquid | 118.00 | J/mol×K | NIST |
| Tboil | [259.05; 259.45] | K |
|
| Tboil | 259.25 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 259.35 | K | KDB |
| Tboil | 259.35 | K | NIST |
| Tboil | 259.45 ± 0.20 | K | NIST |
| Tboil | 259.05 ± 0.40 | K | NIST |
| Tboil | 259.30 ± 0.20 | K | NIST |
| Tc | [424.61; 432.00] | K |
|
| Tc | 432.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 424.61 | K | KDB |
| Tfus | [94.43; 119.45] | K |
|
| Tfus | 119.36 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 119.40 | K | KDB |
| Tfus | 119.45 | K | Aq. Solubility Prediction |
| Tfus | 119.35 | K | NIST |
| Tfus | Outlier 94.43 ± 0.10 | K | NIST |
| Tfus | 119.36 ± 0.02 | K | NIST |
| Tfus | 113.50 ± 0.20 | K | NIST |
| Ttriple | [119.31; 119.36] | K |
|
| Ttriple | 119.36 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 119.31 ± 0.02 | K | NIST |
| Ttriple | 119.31 ± 0.02 | K | NIST |
| UQi | 1.49 | ChemSep v8.3 pure component data Compiled value | |
| URi | 1.91 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.179 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2830000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.28 | ChemSep v8.3 pure component data Compiled value |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [44.11; 114.49] | J/mol×K | [200.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.90130e+01 | |||
| Coefficient B | -6.67910e+02 | |||
| Coefficient C | 5.02724e+00 | |||
| Coefficient D | -3.08950e-04 | |||
| Coefficient E | 9.12450e-08 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 44.11 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 58.95 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 73.20 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 84.33 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 92.71 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 99.09 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 104.08 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 108.10 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 111.50 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 114.49 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [55.51; 121.54] | J/mol×K | [200.00; 400.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 2.99280e+01 | |||
| Coefficient B | 1.67460e+02 | |||
| Coefficient C | -1.26916e+00 | |||
| Coefficient D | 2.33190e-02 | |||
| Coefficient E | -2.47470e-05 | |||
| Comment | ChemSep eq 16, LiquidHeatCapacityCp | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 400.00 | |||
| Cp,liquid | 55.51 | J/mol×K | 200.00 | Calculated Property |
| Cp,liquid | 61.25 | J/mol×K | 222.22 | Calculated Property |
| Cp,liquid | 67.92 | J/mol×K | 244.44 | Calculated Property |
| Cp,liquid | 75.42 | J/mol×K | 266.67 | Calculated Property |
| Cp,liquid | 83.54 | J/mol×K | 288.89 | Calculated Property |
| Cp,liquid | 92.02 | J/mol×K | 311.11 | Calculated Property |
| Cp,liquid | 100.49 | J/mol×K | 333.33 | Calculated Property |
| Cp,liquid | 108.54 | J/mol×K | 355.56 | Calculated Property |
| Cp,liquid | 115.70 | J/mol×K | 377.78 | Calculated Property |
| Cp,liquid | 121.54 | J/mol×K | 400.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024991; 0.0000856] | Pa×s | [130.00; 400.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -3.58600e+00 | |||
| Coefficient B | 3.86190e+02 | |||
| Coefficient C | -1.10140e+00 | |||
| Coefficient D | -9.11640e-07 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, LiquidViscosity | |||
| Temperature range, min. | 130.00 | |||
| Temperature range, max. | 400.00 | |||
| η | 0.0024991 | Pa×s | 130.00 | Calculated Property |
| η | 0.0011301 | Pa×s | 160.00 | Calculated Property |
| η | 0.0006328 | Pa×s | 190.00 | Calculated Property |
| η | 0.0004035 | Pa×s | 220.00 | Calculated Property |
| η | 0.0002803 | Pa×s | 250.00 | Calculated Property |
| η | 0.0002067 | Pa×s | 280.00 | Calculated Property |
| η | 0.0001591 | Pa×s | 310.00 | Calculated Property |
| η | 0.0001265 | Pa×s | 340.00 | Calculated Property |
| η | 0.0001031 | Pa×s | 370.00 | Calculated Property |
| η | 0.0000856 | Pa×s | 400.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [31.16; 7.93] | kJ/mol | [119.36; 415.55] |
ChemSep v8.3 pure component data Compiled value
|
| 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 | 2.65810e+01 | |||
| Coefficient B | -2.11890e+00 | |||
| Coefficient C | 8.30300e+00 | |||
| Coefficient D | -9.85510e+00 | |||
| Coefficient E | 4.06850e+00 | |||
| Critical temperature, Tc (K) | 4.32000e+02 | |||
| Comment | ChemSep eq 106, HeatOfVaporization | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 415.55 | |||
| ΔvapH | 31.16 | kJ/mol | 119.36 | Calculated Property |
| ΔvapH | 29.48 | kJ/mol | 152.27 | Calculated Property |
| ΔvapH | 27.34 | kJ/mol | 185.18 | Calculated Property |
| ΔvapH | 25.05 | kJ/mol | 218.09 | Calculated Property |
| ΔvapH | 22.80 | kJ/mol | 251.00 | Calculated Property |
| ΔvapH | 20.64 | kJ/mol | 283.91 | Calculated Property |
| ΔvapH | 18.49 | kJ/mol | 316.82 | Calculated Property |
| ΔvapH | 16.09 | kJ/mol | 349.73 | Calculated Property |
| ΔvapH | 12.97 | kJ/mol | 382.64 | Calculated Property |
| ΔvapH | 7.93 | kJ/mol | 415.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.69] | kPa | [187.41; 277.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38927e+01 | |||
| Coefficient B | -2.09601e+03 | |||
| Coefficient C | -3.33500e+01 | |||
| Temperature range, min. | 187.41 | |||
| Temperature range, max. | 277.61 | |||
| Pvap | 1.33 | kPa | 187.41 | Calculated Property |
| Pvap | 3.06 | kPa | 197.43 | Calculated Property |
| Pvap | 6.38 | kPa | 207.45 | Calculated Property |
| Pvap | 12.30 | kPa | 217.48 | Calculated Property |
| Pvap | 22.13 | kPa | 227.50 | Calculated Property |
| Pvap | 37.59 | kPa | 237.52 | Calculated Property |
| Pvap | 60.77 | kPa | 247.54 | Calculated Property |
| Pvap | 94.12 | kPa | 257.57 | Calculated Property |
| Pvap | 140.40 | kPa | 267.59 | Calculated Property |
| Pvap | 202.69 | kPa | 277.61 | Calculated Property |
| Pvap | [1.47e-04; 5260.95] | kPa | [119.36; 432.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.35953e+01 | |||
| Coefficient B | -3.20411e+03 | |||
| Coefficient C | -1.15716e+00 | |||
| Coefficient D | -3.15182e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 432.00 | |||
| Pvap | 1.47e-04 | kPa | 119.36 | Calculated Property |
| Pvap | 0.04 | kPa | 154.10 | Calculated Property |
| Pvap | 1.57 | kPa | 188.84 | Calculated Property |
| Pvap | 17.23 | kPa | 223.57 | Calculated Property |
| Pvap | 95.00 | kPa | 258.31 | Calculated Property |
| Pvap | 336.26 | kPa | 293.05 | Calculated Property |
| Pvap | 879.20 | kPa | 327.79 | Calculated Property |
| Pvap | 1851.09 | kPa | 362.52 | Calculated Property |
| Pvap | 3318.63 | kPa | 397.26 | Calculated Property |
| Pvap | 5260.95 | kPa | 432.00 | Calculated Property |
| Pvap | [1.65e-05; 5873.76] | kPa | [119.36; 432.00] |
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 | 9.48913e+01 | |||
| Coefficient B | -5.42760e+03 | |||
| Coefficient C | -1.26907e+01 | |||
| Coefficient D | 1.80238e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 432.00 | |||
| Pvap | 1.65e-05 | kPa | 119.36 | Calculated Property |
| Pvap | 0.02 | kPa | 154.10 | Calculated Property |
| Pvap | 1.32 | kPa | 188.84 | Calculated Property |
| Pvap | 17.50 | kPa | 223.57 | Calculated Property |
| Pvap | 99.05 | kPa | 258.31 | Calculated Property |
| Pvap | 340.45 | kPa | 293.05 | Calculated Property |
| Pvap | 862.76 | kPa | 327.79 | Calculated Property |
| Pvap | 1809.24 | kPa | 362.52 | Calculated Property |
| Pvap | 3375.42 | kPa | 397.26 | Calculated Property |
| Pvap | 5873.76 | kPa | 432.00 | Calculated Property |
| Pvap | [0.14; 101.54] | kPa | [165.30; 259.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37832e+01 | |||
| Coefficient B | -2.05565e+03 | |||
| Coefficient C | -3.50510e+01 | |||
| Reference | McDonald, Shrader, et al., 1959, 2 | |||
| Temperature range, min. | 165.30 | |||
| Temperature range, max. | 259.40 | |||
| Pvap | 0.14 | kPa | 165.30 | Calculated Property |
| Pvap | 0.44 | kPa | 175.76 | Calculated Property |
| Pvap | 1.20 | kPa | 186.21 | Calculated Property |
| Pvap | 2.90 | kPa | 196.67 | Calculated Property |
| Pvap | 6.28 | kPa | 207.12 | Calculated Property |
| Pvap | 12.44 | kPa | 217.58 | Calculated Property |
| Pvap | 22.90 | kPa | 228.03 | Calculated Property |
| Pvap | 39.59 | kPa | 238.49 | Calculated Property |
| Pvap | 64.88 | kPa | 248.94 | Calculated Property |
| Pvap | 101.54 | kPa | 259.40 | Calculated Property |
| Pvap | [0.14; 101.54] | kPa | [165.30; 259.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37832e+01 | |||
| Coefficient B | -2.05565e+03 | |||
| Coefficient C | -3.50510e+01 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Temperature range, min. | 165.30 | |||
| Temperature range, max. | 259.40 | |||
| Pvap | 0.14 | kPa | 165.30 | Calculated Property |
| Pvap | 0.44 | kPa | 175.76 | Calculated Property |
| Pvap | 1.20 | kPa | 186.21 | Calculated Property |
| Pvap | 2.90 | kPa | 196.67 | Calculated Property |
| Pvap | 6.28 | kPa | 207.12 | Calculated Property |
| Pvap | 12.44 | kPa | 217.58 | Calculated Property |
| Pvap | 22.90 | kPa | 228.03 | Calculated Property |
| Pvap | 39.59 | kPa | 238.49 | Calculated Property |
| Pvap | 64.88 | kPa | 248.94 | Calculated Property |
| Pvap | 101.54 | kPa | 259.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1154.83; 597.12] | kg/m3 | [119.36; 415.55] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 9.30099e+01 | |||
| Coefficient B | 2.68660e-01 | |||
| Coefficient C | 4.32000e+02 | |||
| Coefficient D | 2.69300e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 415.55 | |||
| ρl | 1154.83 | kg/m3 | 119.36 | Calculated Property |
| ρl | 1114.50 | kg/m3 | 152.27 | Calculated Property |
| ρl | 1072.14 | kg/m3 | 185.18 | Calculated Property |
| ρl | 1027.28 | kg/m3 | 218.09 | Calculated Property |
| ρl | 979.29 | kg/m3 | 251.00 | Calculated Property |
| ρl | 927.16 | kg/m3 | 283.91 | Calculated Property |
| ρl | 869.27 | kg/m3 | 316.82 | Calculated Property |
| ρl | 802.63 | kg/m3 | 349.73 | Calculated Property |
| ρl | 720.41 | kg/m3 | 382.64 | Calculated Property |
| ρl | 597.12 | kg/m3 | 415.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 8.39e-04] | N/m | [119.36; 415.55] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -2.25240e-02 | |||
| Coefficient B | 7.05610e-01 | |||
| Coefficient C | -2.40280e+00 | |||
| Coefficient D | -1.92150e-03 | |||
| Coefficient E | -3.22560e-06 | |||
| Comment | ChemSep eq 16, SurfaceTension | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 415.55 | |||
| γ | 0.05 | N/m | 119.36 | Calculated Property |
| γ | 0.04 | N/m | 152.27 | Calculated Property |
| γ | 0.03 | N/m | 185.18 | Calculated Property |
| γ | 0.03 | N/m | 218.09 | Calculated Property |
| γ | 0.02 | N/m | 251.00 | Calculated Property |
| γ | 0.02 | N/m | 283.91 | Calculated Property |
| γ | 0.01 | N/m | 316.82 | Calculated Property |
| γ | 0.01 | N/m | 349.73 | Calculated Property |
| γ | 0.00 | N/m | 382.64 | Calculated Property |
| γ | 8.39e-04 | N/m | 415.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.08] | W/m×K | [119.36; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | -2.60510e+02 | |||
| Coefficient B | 5.86230e-01 | |||
| Coefficient C | -1.78380e+08 | |||
| Coefficient D | -1.66910e+09 | |||
| Comment | ChemSep eq 102, VaporThermalConductivity | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 119.36 | Calculated Property |
| λgas | 0.01 | W/m×K | 217.21 | Calculated Property |
| λgas | 0.01 | W/m×K | 315.06 | Calculated Property |
| λgas | 0.02 | W/m×K | 412.91 | Calculated Property |
| λgas | 0.03 | W/m×K | 510.76 | Calculated Property |
| λgas | 0.04 | W/m×K | 608.60 | Calculated Property |
| λgas | 0.05 | W/m×K | 706.45 | Calculated Property |
| λgas | 0.06 | W/m×K | 804.30 | Calculated Property |
| λgas | 0.07 | W/m×K | 902.15 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.19; 0.08] | W/m×K | [119.36; 377.59] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 6.03410e-02 | |||
| Coefficient B | 1.55360e+02 | |||
| Coefficient C | -4.67850e+00 | |||
| Coefficient D | 1.55230e-02 | |||
| Coefficient E | -3.81650e-05 | |||
| Comment | ChemSep eq 16, LiquidThermalConductivity | |||
| Temperature range, min. | 119.36 | |||
| Temperature range, max. | 377.59 | |||
| λliquid | 0.19 | W/m×K | 119.36 | Calculated Property |
| λliquid | 0.17 | W/m×K | 148.05 | Calculated Property |
| λliquid | 0.17 | W/m×K | 176.74 | Calculated Property |
| λliquid | 0.16 | W/m×K | 205.44 | Calculated Property |
| λliquid | 0.14 | W/m×K | 234.13 | Calculated Property |
| λliquid | 0.13 | W/m×K | 262.82 | Calculated Property |
| λliquid | 0.12 | W/m×K | 291.51 | Calculated Property |
| λliquid | 0.10 | W/m×K | 320.21 | Calculated Property |
| λliquid | 0.09 | W/m×K | 348.90 | Calculated Property |
| λliquid | 0.08 | W/m×K | 377.59 | Calculated Property |
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