| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4049; 0.4110] |
|
|
| ω | 0.4049 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4110 | KDB | |
| PAff | 941.10 | kJ/mol | NIST |
| BasG | 909.20 | kJ/mol | NIST |
| ΔcH°liquid | [-4767.80; -4754.30] | kJ/mol |
|
| ΔcH°liquid | -4767.80 ± 3.20 | kJ/mol | NIST |
| ΔcH°liquid | -4754.30 | kJ/mol | NIST |
| μ | 1.60 | debye | KDB |
| ΔfG° | 231.40 | kJ/mol | KDB |
| ΔfH°gas | [84.10; 100.50] | kJ/mol |
|
| ΔfH°gas | 84.15 | kJ/mol | KDB |
| ΔfH°gas | 100.50 ± 3.40 | kJ/mol | NIST |
| ΔfH°gas | 84.10 | kJ/mol | NIST |
| ΔfH°liquid | [34.00; 47.70] | kJ/mol |
|
| ΔfH°liquid | 47.70 ± 3.40 | kJ/mol | NIST |
| ΔfH°liquid | 34.00 | kJ/mol | NIST |
| ΔfusH° | 13.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.80; 52.83] | kJ/mol |
|
| ΔvapH° | 52.83 | kJ/mol | NIST |
| ΔvapH° | 52.83 ± 0.03 | kJ/mol | NIST |
| ΔvapH° | 52.80 | kJ/mol | NIST |
| ΔvapH° | 52.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 49.80 | kJ/mol | NIST |
| ΔvapH° | 50.10 | kJ/mol | NIST |
| IE | [7.10; 7.92] | eV |
|
| IE | 7.12 ± 0.02 | eV | NIST |
| IE | 7.15 | eV | NIST |
| IE | 7.78 | eV | NIST |
| IE | 7.10 ± 0.02 | eV | NIST |
| IE | 7.42 | eV | NIST |
| IE | 7.11 | eV | NIST |
| IE | 7.13 ± 0.04 | eV | NIST |
| IE | 7.20 | eV | NIST |
| IE | 7.10 ± 0.05 | eV | NIST |
| IE | 7.31 | eV | NIST |
| IE | 7.20 | eV | NIST |
| IE | 7.14 ± 0.03 | eV | NIST |
| IE | 7.35 | eV | NIST |
| IE | Outlier 7.92 | eV | NIST |
| IE | 7.60 | eV | NIST |
| IE | 7.37 | eV | NIST |
| IE | 7.51 | eV | NIST |
| log10WS | [-1.92; -1.92] |
|
|
| log10WS | -1.92 | Aq. Solubility Prediction | |
| log10WS | -1.92 | Estimated Solubility | |
| logPoct/wat | 1.753 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 3 | KDB | |
| Pc | [3576.77; 3657.83] | kPa |
|
| Pc | 3600.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Pc | 3627.43 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3630.00 | kPa | KDB |
| Pc | 3610.00 ± 91.19 | kPa | NIST |
| Pc | 3650.00 ± 91.19 | kPa | NIST |
| Pc | 3597.04 ± 151.99 | kPa | NIST |
| Pc | 3627.44 ± 151.99 | kPa | NIST |
| Pc | 3657.83 ± 151.99 | kPa | NIST |
| Pc | 3637.57 ± 151.99 | kPa | NIST |
| Pc | 3576.77 ± 151.99 | kPa | NIST |
| Inp | [1061.00; 1104.00] |
|
|
| Inp | 1065.40 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1083.90 | NIST | |
| Inp | 1094.50 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1103.00 | NIST | |
| Inp | 1065.40 | NIST | |
| Inp | 1062.37 | NIST | |
| Inp | 1062.07 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1062.71 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1086.10 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1083.90 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Ip | [1569.90; 1605.00] |
|
|
| Ip | 1569.90 | NIST | |
| Ip | 1602.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1603.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | 1604.80 | NIST | |
| Ip | 1603.40 | NIST | |
| Ip | 1574.00 | NIST | |
| Ip | 1574.00 | NIST | |
| Ip | 1569.90 | NIST | |
| Ip | 1604.80 | NIST | |
| Tboil | [462.70; 467.30] | K |
|
| Tboil | 467.30 | K | KDB |
| Tboil | 467.20 | K | NIST |
| Tboil | 466.55 ± 0.40 | K | NIST |
| Tboil | 467.15 ± 1.50 | K | NIST |
| Tboil | 467.20 ± 0.30 | K | NIST |
| Tboil | 465.40 ± 0.50 | K | NIST |
| Tboil | 467.20 ± 0.30 | K | NIST |
| Tboil | 467.20 ± 0.50 | K | NIST |
| Tboil | Outlier 462.70 ± 1.00 | K | NIST |
| Tboil | 466.90 ± 1.00 | K | NIST |
| Tboil | 466.15 ± 0.50 | K | NIST |
| Tc | [687.00; 688.00] | K |
|
| Tc | 688.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value |
| Tc | 687.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 687.00 | K | KDB |
| Tc | 687.70 ± 2.00 | K | NIST |
| Tc | 687.20 ± 2.00 | K | NIST |
| Tc | 687.75 ± 1.00 | K | NIST |
| Tc | 687.35 ± 1.50 | K | NIST |
| Tc | 687.25 ± 1.50 | K | NIST |
| Tc | 687.95 ± 1.00 | K | NIST |
| Tfus | [272.00; 275.75] | K |
|
| Tfus | 275.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 275.60 | K | KDB |
| Tfus | 275.53 | K | Aq. Solubility Prediction |
| Tfus | 275.65 ± 0.30 | K | NIST |
| Tfus | Outlier 272.00 ± 1.00 | K | NIST |
| Tfus | 275.60 ± 0.30 | K | NIST |
| Tfus | 275.36 ± 0.25 | K | NIST |
| Tfus | 275.75 ± 0.20 | K | NIST |
| Tfus | 275.35 ± 0.40 | K | NIST |
| Tfus | 274.60 ± 0.14 | K | NIST |
| Tfus | 274.15 ± 0.30 | K | NIST |
| Vc | 0.400 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 350.20 | K | 1.70 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.44; 351.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.89800e+01 | |||
| Coefficient B | 8.08840e-01 | |||
| Coefficient C | -5.55200e-04 | |||
| Coefficient D | 1.46900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 174.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 209.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 267.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 325.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 339.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 351.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [342.92; 495.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50960e+01 | |||
| Coefficient B | -4.40969e+03 | |||
| Coefficient C | -4.51330e+01 | |||
| Temperature range, min. | 342.92 | |||
| Temperature range, max. | 495.81 | |||
| Pvap | 1.33 | kPa | 342.92 | Calculated Property |
| Pvap | 2.97 | kPa | 359.91 | Calculated Property |
| Pvap | 6.08 | kPa | 376.90 | Calculated Property |
| Pvap | 11.61 | kPa | 393.88 | Calculated Property |
| Pvap | 20.88 | kPa | 410.87 | Calculated Property |
| Pvap | 35.67 | kPa | 427.86 | Calculated Property |
| Pvap | 58.20 | kPa | 444.85 | Calculated Property |
| Pvap | 91.25 | kPa | 461.83 | Calculated Property |
| Pvap | 138.12 | kPa | 478.82 | Calculated Property |
| Pvap | 202.63 | kPa | 495.81 | Calculated Property |
| Pvap | [0.02; 3612.43] | kPa | [275.60; 687.15] |
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 | 4.20032e+01 | |||
| Coefficient B | -7.05985e+03 | |||
| Coefficient C | -3.63909e+00 | |||
| Coefficient D | 4.98882e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 275.60 | |||
| Temperature range, max. | 687.15 | |||
| Pvap | 0.02 | kPa | 275.60 | Calculated Property |
| Pvap | 0.40 | kPa | 321.33 | Calculated Property |
| Pvap | 3.84 | kPa | 367.06 | Calculated Property |
| Pvap | 21.48 | kPa | 412.78 | Calculated Property |
| Pvap | 82.31 | kPa | 458.51 | Calculated Property |
| Pvap | 240.53 | kPa | 504.24 | Calculated Property |
| Pvap | 575.43 | kPa | 549.97 | Calculated Property |
| Pvap | 1183.22 | kPa | 595.69 | Calculated Property |
| Pvap | 2164.57 | kPa | 641.42 | Calculated Property |
| Pvap | 3612.43 | kPa | 687.15 | Calculated Property |
| Pvap | [0.14; 100.88] | kPa | [302.70; 466.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57267e+01 | |||
| Coefficient B | -4.87512e+03 | |||
| Coefficient C | -2.76060e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 302.70 | |||
| Temperature range, max. | 466.30 | |||
| Pvap | 0.14 | kPa | 302.70 | Calculated Property |
| Pvap | 0.41 | kPa | 320.88 | Calculated Property |
| Pvap | 1.08 | kPa | 339.06 | Calculated Property |
| Pvap | 2.55 | kPa | 357.23 | Calculated Property |
| Pvap | 5.53 | kPa | 375.41 | Calculated Property |
| Pvap | 11.09 | kPa | 393.59 | Calculated Property |
| Pvap | 20.83 | kPa | 411.77 | Calculated Property |
| Pvap | 36.96 | kPa | 429.94 | Calculated Property |
| Pvap | 62.40 | kPa | 448.12 | Calculated Property |
| Pvap | 100.88 | kPa | 466.30 | Calculated Property |
| Pvap | [1.39; 110.22] | kPa | [344.17; 469.93] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57662e+01 | |||
| Coefficient B | -4.91026e+03 | |||
| Coefficient C | -2.61160e+01 | |||
| Reference | Nelson and Wales, 1925 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 344.17 | |||
| Temperature range, max. | 469.93 | |||
| Pvap | 1.39 | kPa | 344.17 | Calculated Property |
| Pvap | 2.66 | kPa | 358.14 | Calculated Property |
| Pvap | 4.83 | kPa | 372.12 | Calculated Property |
| Pvap | 8.38 | kPa | 386.09 | Calculated Property |
| Pvap | 13.95 | kPa | 400.06 | Calculated Property |
| Pvap | 22.38 | kPa | 414.04 | Calculated Property |
| Pvap | 34.76 | kPa | 428.01 | Calculated Property |
| Pvap | 52.40 | kPa | 441.98 | Calculated Property |
| Pvap | 76.92 | kPa | 455.96 | Calculated Property |
| Pvap | 110.22 | kPa | 469.93 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [275.65; 467.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.67934e-02 | |||
| Coefficient B | -1.04900e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 275.65 | |||
| Temperature range, max. | 467.15 | |||
| γ | 0.04 | N/m | 275.65 | Calculated Property |
| γ | 0.04 | N/m | 296.93 | Calculated Property |
| γ | 0.03 | N/m | 318.21 | Calculated Property |
| γ | 0.03 | N/m | 339.48 | Calculated Property |
| γ | 0.03 | N/m | 360.76 | Calculated Property |
| γ | 0.03 | N/m | 382.04 | Calculated Property |
| γ | 0.02 | N/m | 403.32 | Calculated Property |
| γ | 0.02 | N/m | 424.59 | Calculated Property |
| γ | 0.02 | N/m | 445.87 | Calculated Property |
| γ | 0.02 | N/m | 467.15 | Calculated Property |
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