| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [1.1008; 1.2841] |
|
|
| ω | 1.1008 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 1.2841 | ChemSep v8.3 pure component data Compiled value | |
| ΔcH°liquid | -3840.60 ± 1.50 | kJ/mol | NIST |
| μ | 1.08 | debye | ChemSep v8.3 pure component data Compiled value |
| εr | 29.36 | NCMS SOLV-DB | |
| Tflash,cc | 452.15 | K | NCMS SOLV-DB |
| ΔfG° | -299.40 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-558.30; -554.00] | kJ/mol |
|
| ΔfH°gas | -554.00 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -558.30 ± 2.70 | kJ/mol | NIST |
| ΔfH°liquid | -664.20 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 26.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [67.49; 105.90] | kJ/mol |
|
| ΔvapH° | 67.49 | kJ/mol | NCMS SOLV-DB |
| ΔvapH° | 105.90 ± 2.20 | kJ/mol | NIST |
| IE | [7.90; 8.70] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.70 | eV | NIST |
| logPoct/wat | -2.480 | NCMS SOLV-DB | |
| McVol | 122.990 | ml/mol | McGowan Calculated Property |
| NFPA Fire | [%!d(float64=1); %!d(float64=1)] |
|
|
| NFPA Fire | 1 | KDB | |
| NFPA Fire | 1 | NCMS SOLV-DB | |
| NFPA Health | [%!d(float64=1); %!d(float64=2)] |
|
|
| NFPA Health | 1 | KDB | |
| NFPA Health | 2 | NCMS SOLV-DB | |
| NFPA Safety | [%!d(float64=1); %!d(float64=1)] |
|
|
| NFPA Safety | 1 | KDB | |
| NFPA Safety | 1 | NCMS SOLV-DB | |
| Pc | [2450.04; 3590.00] | kPa |
|
| Pc | 2700.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Pc | 2450.04 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3590.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 2.87e-07 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | [608.55; 613.00] | K |
|
| Tboil | 613.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 608.55 | K | NCMS SOLV-DB |
| Tboil | 608.55 | K | NIST |
| Tc | [772.00; 787.00] | K |
|
| Tc | 772.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Tc | 787.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 787.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [293.15; 294.75] | K |
|
| Tfus | Outlier 293.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 294.35 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 294.72 | K | NCMS SOLV-DB |
| Tfus | 294.75 | K | NIST |
| Tfus | 294.72 ± 0.10 | K | NIST |
| Tfus | 294.40 ± 0.60 | K | NIST |
| Ttriple | 294.35 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 6.93 | ChemSep v8.3 pure component data Compiled value | |
| URi | 7.33 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.446; 0.472] | m3/kmol |
|
| Vc | 0.446 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.472 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2020000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.25 | ChemSep v8.3 pure component data Compiled value |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 464.70 | K | 0.70 | NIST |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.60; 456.78] | J/mol×K | [273.00; 1200.15] |
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 | 1.14870e+02 | |||
| Coefficient B | -6.16040e+02 | |||
| Coefficient C | 6.60124e+00 | |||
| Coefficient D | -4.80740e-04 | |||
| Coefficient E | 2.24640e-07 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1200.15 | |||
| Cp,gas | 183.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.08 | J/mol×K | 376.02 | Calculated Property |
| Cp,gas | 284.99 | J/mol×K | 479.03 | Calculated Property |
| Cp,gas | 323.20 | J/mol×K | 582.05 | Calculated Property |
| Cp,gas | 354.26 | J/mol×K | 685.07 | Calculated Property |
| Cp,gas | 380.00 | J/mol×K | 788.08 | Calculated Property |
| Cp,gas | 401.99 | J/mol×K | 891.10 | Calculated Property |
| Cp,gas | 421.50 | J/mol×K | 994.12 | Calculated Property |
| Cp,gas | 439.51 | J/mol×K | 1097.13 | Calculated Property |
| Cp,gas | 456.78 | J/mol×K | 1200.15 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [352.82; 459.25] | J/mol×K | [293.15; 633.15] |
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 | 2.85560e+02 | |||
| Coefficient B | 3.13350e+02 | |||
| Coefficient C | -5.56755e-01 | |||
| Coefficient D | 1.63740e-02 | |||
| Coefficient E | -1.28420e-05 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 633.15 | |||
| Cp,liquid | 352.82 | J/mol×K | 293.15 | Calculated Property |
| Cp,liquid | 367.20 | J/mol×K | 330.93 | Calculated Property |
| Cp,liquid | 383.51 | J/mol×K | 368.71 | Calculated Property |
| Cp,liquid | 400.92 | J/mol×K | 406.48 | Calculated Property |
| Cp,liquid | 418.29 | J/mol×K | 444.26 | Calculated Property |
| Cp,liquid | 434.30 | J/mol×K | 482.04 | Calculated Property |
| Cp,liquid | 447.54 | J/mol×K | 519.82 | Calculated Property |
| Cp,liquid | 456.71 | J/mol×K | 557.59 | Calculated Property |
| Cp,liquid | 460.79 | J/mol×K | 595.37 | Calculated Property |
| Cp,liquid | 459.25 | J/mol×K | 633.15 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.7771586; 0.0001903] | Pa×s | [293.15; 617.68] |
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 | 3.36050e+01 | |||
| Coefficient B | 4.39970e+03 | |||
| Coefficient C | -8.92030e+00 | |||
| Coefficient D | 2.10380e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 617.68 | |||
| η | 0.7771586 | Pa×s | 293.15 | Calculated Property |
| η | 0.0855456 | Pa×s | 329.21 | Calculated Property |
| η | 0.0153236 | Pa×s | 365.27 | Calculated Property |
| η | 0.0040104 | Pa×s | 401.33 | Calculated Property |
| η | 0.0014245 | Pa×s | 437.39 | Calculated Property |
| η | 0.0006518 | Pa×s | 473.44 | Calculated Property |
| η | 0.0003698 | Pa×s | 509.50 | Calculated Property |
| η | 0.0002528 | Pa×s | 545.56 | Calculated Property |
| η | 0.0002037 | Pa×s | 581.62 | Calculated Property |
| η | 0.0001903 | Pa×s | 617.68 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [106.12; 42.18] | kJ/mol | [294.35; 772.10] |
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 | 1.35487e+02 | |||
| Coefficient B | 3.43894e-01 | |||
| Coefficient C | 9.61738e-01 | |||
| Coefficient D | -1.46629e+00 | |||
| Coefficient E | 4.42687e-01 | |||
| Critical temperature, Tc (K) | 7.87000e+02 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 772.10 | |||
| ΔvapH | 106.12 | kJ/mol | 294.35 | Calculated Property |
| ΔvapH | 100.04 | kJ/mol | 347.43 | Calculated Property |
| ΔvapH | 94.14 | kJ/mol | 400.52 | Calculated Property |
| ΔvapH | 88.50 | kJ/mol | 453.60 | Calculated Property |
| ΔvapH | 83.11 | kJ/mol | 506.68 | Calculated Property |
| ΔvapH | 77.91 | kJ/mol | 559.77 | Calculated Property |
| ΔvapH | 72.70 | kJ/mol | 612.85 | Calculated Property |
| ΔvapH | 67.02 | kJ/mol | 665.93 | Calculated Property |
| ΔvapH | 59.47 | kJ/mol | 719.02 | Calculated Property |
| ΔvapH | 42.18 | kJ/mol | 772.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [9.06e-08; 2736.05] | kPa | [294.35; 772.10] |
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 | 2.76852e+02 | |||
| Coefficient B | -2.46720e+04 | |||
| Coefficient C | -3.70480e+01 | |||
| Coefficient D | 1.56890e-05 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 772.10 | |||
| Pvap | 9.06e-08 | kPa | 294.35 | Calculated Property |
| Pvap | 1.21e-04 | kPa | 347.43 | Calculated Property |
| Pvap | 0.01 | kPa | 400.52 | Calculated Property |
| Pvap | 0.39 | kPa | 453.60 | Calculated Property |
| Pvap | 4.29 | kPa | 506.68 | Calculated Property |
| Pvap | 26.33 | kPa | 559.77 | Calculated Property |
| Pvap | 110.88 | kPa | 612.85 | Calculated Property |
| Pvap | 366.86 | kPa | 665.93 | Calculated Property |
| Pvap | 1045.47 | kPa | 719.02 | Calculated Property |
| Pvap | 2736.05 | kPa | 772.10 | Calculated Property |
| Pvap | [2.81e-07; 2423.48] | kPa | [294.35; 787.00] |
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 | 2.11675e+02 | |||
| Coefficient B | -2.09292e+04 | |||
| Coefficient C | -2.75376e+01 | |||
| Coefficient D | 1.02336e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 787.00 | |||
| Pvap | 2.81e-07 | kPa | 294.35 | Calculated Property |
| Pvap | 2.55e-04 | kPa | 349.09 | Calculated Property |
| Pvap | 0.02 | kPa | 403.83 | Calculated Property |
| Pvap | 0.57 | kPa | 458.57 | Calculated Property |
| Pvap | 5.70 | kPa | 513.31 | Calculated Property |
| Pvap | 32.59 | kPa | 568.04 | Calculated Property |
| Pvap | 128.53 | kPa | 622.78 | Calculated Property |
| Pvap | 395.35 | kPa | 677.52 | Calculated Property |
| Pvap | 1031.90 | kPa | 732.26 | Calculated Property |
| Pvap | 2423.48 | kPa | 787.00 | Calculated Property |
| Pvap | [8.72; 46.12] | kPa | [525.90; 578.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.11665e+01 | |||
| Coefficient B | -1.04627e+04 | |||
| Coefficient C | 2.47490e+01 | |||
| Reference | McDonald, Shrader, et al., 1959, 2 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 525.90 | |||
| Temperature range, max. | 578.80 | |||
| Pvap | 8.72 | kPa | 525.90 | Calculated Property |
| Pvap | 10.66 | kPa | 531.78 | Calculated Property |
| Pvap | 12.97 | kPa | 537.66 | Calculated Property |
| Pvap | 15.73 | kPa | 543.53 | Calculated Property |
| Pvap | 18.99 | kPa | 549.41 | Calculated Property |
| Pvap | 22.84 | kPa | 555.29 | Calculated Property |
| Pvap | 27.37 | kPa | 561.17 | Calculated Property |
| Pvap | 32.68 | kPa | 567.04 | Calculated Property |
| Pvap | 38.89 | kPa | 572.92 | Calculated Property |
| Pvap | 46.12 | kPa | 578.80 | Calculated Property |
| Pvap | [8.72; 46.12] | kPa | [525.90; 578.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.11665e+01 | |||
| Coefficient B | -1.04627e+04 | |||
| Coefficient C | 2.47490e+01 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 525.90 | |||
| Temperature range, max. | 578.80 | |||
| Pvap | 8.72 | kPa | 525.90 | Calculated Property |
| Pvap | 10.66 | kPa | 531.78 | Calculated Property |
| Pvap | 12.97 | kPa | 537.66 | Calculated Property |
| Pvap | 15.73 | kPa | 543.53 | Calculated Property |
| Pvap | 18.99 | kPa | 549.41 | Calculated Property |
| Pvap | 22.84 | kPa | 555.29 | Calculated Property |
| Pvap | 27.37 | kPa | 561.17 | Calculated Property |
| Pvap | 32.68 | kPa | 567.04 | Calculated Property |
| Pvap | 38.89 | kPa | 572.92 | Calculated Property |
| Pvap | 46.12 | kPa | 578.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1133.45; 506.37] | kg/m3 | [283.15; 772.10] |
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 | 4.31721e+00 | |||
| Coefficient B | 5.80140e-02 | |||
| Coefficient C | 7.87000e+02 | |||
| Coefficient D | 9.96320e-02 | |||
| Temperature range, min. | 283.15 | |||
| Temperature range, max. | 772.10 | |||
| ρl | 1133.45 | kg/m3 | 283.15 | Calculated Property |
| ρl | 1099.09 | kg/m3 | 337.48 | Calculated Property |
| ρl | 1062.00 | kg/m3 | 391.81 | Calculated Property |
| ρl | 1021.50 | kg/m3 | 446.13 | Calculated Property |
| ρl | 976.63 | kg/m3 | 500.46 | Calculated Property |
| ρl | 925.88 | kg/m3 | 554.79 | Calculated Property |
| ρl | 866.69 | kg/m3 | 609.12 | Calculated Property |
| ρl | 794.05 | kg/m3 | 663.44 | Calculated Property |
| ρl | 695.32 | kg/m3 | 717.77 | Calculated Property |
| ρl | 506.37 | kg/m3 | 772.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.05; 6.54e-06] | N/m | [294.35; 787.00] |
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 | -1.51321e-01 | |||
| Coefficient B | 4.93716e+01 | |||
| Coefficient C | -1.69798e+00 | |||
| Coefficient D | -2.92780e-04 | |||
| Coefficient E | -3.65658e-08 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 787.00 | |||
| γ | 0.05 | N/m | 294.35 | Calculated Property |
| γ | 0.04 | N/m | 349.09 | Calculated Property |
| γ | 0.03 | N/m | 403.83 | Calculated Property |
| γ | 0.03 | N/m | 458.57 | Calculated Property |
| γ | 0.02 | N/m | 513.31 | Calculated Property |
| γ | 0.02 | N/m | 568.04 | Calculated Property |
| γ | 0.01 | N/m | 622.78 | Calculated Property |
| γ | 0.01 | N/m | 677.52 | Calculated Property |
| γ | 0.00 | N/m | 732.26 | Calculated Property |
| γ | 6.54e-06 | N/m | 787.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.07] | W/m×K | [294.35; 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 | 4.38430e-02 | |||
| Coefficient B | 3.83950e-01 | |||
| Coefficient C | 6.68140e+03 | |||
| Coefficient D | 1.20250e+06 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 294.35 | Calculated Property |
| λgas | 0.02 | W/m×K | 372.76 | Calculated Property |
| λgas | 0.02 | W/m×K | 451.16 | Calculated Property |
| λgas | 0.03 | W/m×K | 529.57 | Calculated Property |
| λgas | 0.03 | W/m×K | 607.97 | Calculated Property |
| λgas | 0.04 | W/m×K | 686.38 | Calculated Property |
| λgas | 0.05 | W/m×K | 764.78 | Calculated Property |
| λgas | 0.05 | W/m×K | 843.19 | Calculated Property |
| λgas | 0.06 | W/m×K | 921.59 | Calculated Property |
| λgas | 0.07 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.20; 0.10] | W/m×K | [294.35; 723.15] |
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 | -7.68630e-01 | |||
| Coefficient B | 2.61100e+01 | |||
| Coefficient C | -3.37400e-01 | |||
| Coefficient D | 1.08470e-03 | |||
| Coefficient E | -1.19370e-06 | |||
| Temperature range, min. | 294.35 | |||
| Temperature range, max. | 723.15 | |||
| λliquid | 0.20 | W/m×K | 294.35 | Calculated Property |
| λliquid | 0.20 | W/m×K | 341.99 | Calculated Property |
| λliquid | 0.20 | W/m×K | 389.64 | Calculated Property |
| λliquid | 0.20 | W/m×K | 437.28 | Calculated Property |
| λliquid | 0.19 | W/m×K | 484.93 | Calculated Property |
| λliquid | 0.18 | W/m×K | 532.57 | Calculated Property |
| λliquid | 0.17 | W/m×K | 580.22 | Calculated Property |
| λliquid | 0.15 | W/m×K | 627.86 | Calculated Property |
| λliquid | 0.13 | W/m×K | 675.51 | Calculated Property |
| λliquid | 0.10 | W/m×K | 723.15 | Calculated Property |
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