Property | Value | Unit | Source |
---|---|---|---|
ΔcH°solid | [-3192.30; -3192.00] | kJ/mol |
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ΔcH°solid | -3192.00 ± 0.40 | kJ/mol | NIST |
ΔcH°solid | -3192.30 | kJ/mol | NIST |
ΔfG° | 204.42 | kJ/mol | Joback Calculated Property |
ΔfH°gas | 80.92 | kJ/mol | Joback Calculated Property |
ΔfH°solid | [-26.30; -26.00] | kJ/mol |
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ΔfH°solid | -26.00 ± 0.40 | kJ/mol | NIST |
ΔfH°solid | -26.30 | kJ/mol | NIST |
ΔfusH° | 21.51 | kJ/mol | Joback Calculated Property |
ΔsubH° | 89.00 ± 0.70 | kJ/mol | NIST |
ΔvapH° | 59.12 | kJ/mol | Joback Calculated Property |
IE | [8.27; 8.66] | eV |
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IE | 8.27 ± 0.01 | eV | NIST |
IE | 8.66 | eV | NIST |
IE | 8.43 | eV | NIST |
log10WS | [-1.96; -1.96] |
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|
log10WS | -1.96 | Aq. Sol... | |
log10WS | -1.96 | Estimat... | |
logPoct/wat | 1.177 | Crippen Calculated Property | |
McVol | 99.040 | ml/mol | McGowan Calculated Property |
Pc | 5037.07 | kPa | Joback Calculated Property |
Inp | [241.10; 1402.00] |
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|
Inp | 1402.00 | NIST | |
Inp | 241.10 | NIST | |
Inp | 241.10 | NIST | |
Tboil | 557.20 | K | NIST |
Tc | 856.36 | K | Joback Calculated Property |
Tfus | [342.00; 344.60] | K |
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Tfus | 344.15 ± 0.50 | K | NIST |
Tfus | 344.30 ± 0.20 | K | NIST |
Tfus | 343.75 ± 0.30 | K | NIST |
Tfus | 342.00 ± 1.50 | K | NIST |
Tfus | 344.60 ± 0.15 | K | NIST |
Tfus | 342.45 ± 0.30 | K | NIST |
Tfus | 342.90 ± 0.10 | K | NIST |
Vc | 0.374 | m3/kmol | Joback Calculated Property |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Cp,gas | [226.03; 273.34] | J/mol×K | [592.71; 856.36] | ![]() |
T(K) Ideal gas heat capacity (J/mol×K) 230 240 250 260 270 600 700 800 | ||||
Cp,gas | 226.03 | J/mol×K | 592.71 | Joback Calculated Property |
Cp,gas | 235.82 | J/mol×K | 636.65 | Joback Calculated Property |
Cp,gas | 244.79 | J/mol×K | 680.59 | Joback Calculated Property |
Cp,gas | 252.98 | J/mol×K | 724.54 | Joback Calculated Property |
Cp,gas | 260.43 | J/mol×K | 768.48 | Joback Calculated Property |
Cp,gas | 267.21 | J/mol×K | 812.42 | Joback Calculated Property |
Cp,gas | 273.34 | J/mol×K | 856.36 | Joback Calculated Property |
Cp,solid | [164.40; 168.20] | J/mol×K | [297.90; 298.00] | ![]() |
Cp,solid | 168.20 | J/mol×K | 297.90 | NIST |
Cp,solid | 164.40 | J/mol×K | 298.00 | NIST |
ΔfusH | [16.11; 16.11] | kJ/mol | [342.50; 344.40] | ![]() |
ΔfusH | 16.11 | kJ/mol | 342.50 | NIST |
ΔfusH | 16.11 | kJ/mol | 342.50 | NIST |
ΔfusH | 16.11 | kJ/mol | 344.40 | NIST |
ΔsubH | [79.90; 90.00] | kJ/mol | [223.00; 327.50] | ![]() |
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 80 82 84 86 88 90 250 300 | ||||
ΔsubH | 90.00 ± 4.20 | kJ/mol | 223.00 | NIST |
ΔsubH | 82.00 ± 2.00 | kJ/mol | 313.00 | NIST |
ΔsubH | 82.00 ± 2.00 | kJ/mol | 313.00 | NIST |
ΔsubH | 79.90 ± 1.70 | kJ/mol | 314.50 | NIST |
ΔsubH | 87.20 ± 0.70 | kJ/mol | 327.50 | NIST |
ΔvapH | [59.30; 64.80] | kJ/mol | [467.50; 488.00] | ![]() |
ΔvapH | 64.80 | kJ/mol | 467.50 | NIST |
ΔvapH | 59.30 | kJ/mol | 488.00 | NIST |
Psub | [3.64e-04; 8.82e-03] | kPa | [308.15; 338.15] | ![]() |
T(K) Sublimation pressure (kPa) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 310 320 330 | ||||
Psub | 3.64e-04 | kPa | 308.15 | Triacet... |
Psub | 6.21e-04 | kPa | 313.15 | Triacet... |
Psub | 1.09e-03 | kPa | 318.15 | Triacet... |
Psub | 1.89e-03 | kPa | 323.15 | Triacet... |
Psub | 3.23e-03 | kPa | 328.15 | Triacet... |
Psub | 8.82e-03 | kPa | 338.15 | Triacet... |
ΔfusS | 47.00 | J/mol×K | 342.50 | NIST |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Pvap | [1.33; 202.67] | kPa | [423.96; 587.58] |
The Yaw...
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Equation | ln(Pvp) = A + B/(T + C) | |||
Coefficient A | 1.71477e+01 | |||
Coefficient B | -6.49919e+03 | |||
Coefficient C | -3.84840e+01 | |||
Temperature range, min. | 423.96 | |||
Temperature range, max. | 587.58 | |||
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 | ||||
Pvap | 1.33 | kPa | 423.96 | Calculated Property |
Pvap | 2.85 | kPa | 442.14 | Calculated Property |
Pvap | 5.70 | kPa | 460.32 | Calculated Property |
Pvap | 10.78 | kPa | 478.50 | Calculated Property |
Pvap | 19.36 | kPa | 496.68 | Calculated Property |
Pvap | 33.27 | kPa | 514.86 | Calculated Property |
Pvap | 54.94 | kPa | 533.04 | Calculated Property |
Pvap | 87.55 | kPa | 551.22 | Calculated Property |
Pvap | 135.13 | kPa | 569.40 | Calculated Property |
Pvap | 202.67 | kPa | 587.58 | Calculated Property |
Pvap | [0.01; 268.08] | kPa | [344.65; 600.15] |
KDB Vap...
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Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
Coefficient A | 1.36243e+02 | |||
Coefficient B | -1.36758e+04 | |||
Coefficient C | -1.74694e+01 | |||
Coefficient D | 1.08034e-05 | |||
Temperature range, min. | 344.65 | |||
Temperature range, max. | 600.15 | |||
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 400 500 600 | ||||
Pvap | 0.01 | kPa | 344.65 | Calculated Property |
Pvap | 0.09 | kPa | 373.04 | Calculated Property |
Pvap | 0.44 | kPa | 401.43 | Calculated Property |
Pvap | 1.64 | kPa | 429.82 | Calculated Property |
Pvap | 5.07 | kPa | 458.21 | Calculated Property |
Pvap | 13.52 | kPa | 486.59 | Calculated Property |
Pvap | 32.15 | kPa | 514.98 | Calculated Property |
Pvap | 69.75 | kPa | 543.37 | Calculated Property |
Pvap | 140.75 | kPa | 571.76 | Calculated Property |
Pvap | 268.08 | kPa | 600.15 | Calculated Property |
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