Property | Value | Unit | Source |
---|---|---|---|
ΔcH°solid | [-2945.00; -2931.00] | kJ/mol | |
ΔcH°solid | -2931.00 ± 0.63 | kJ/mol | NIST |
ΔcH°solid | -2945.00 | kJ/mol | NIST |
EA | [1.65; 1.77] | eV | |
EA | 1.65 ± 0.10 | eV | NIST |
EA | 1.77 ± 0.05 | eV | NIST |
ΔfG° | 173.52 | kJ/mol | Joback Calculated Property |
ΔfH°gas | 36.37 | kJ/mol | Joback Calculated Property |
ΔfH°solid | -2.00 ± 0.63 | kJ/mol | NIST |
ΔfusH° | 27.67 | kJ/mol | Joback Calculated Property |
ΔsubH° | [87.90; 95.50] | kJ/mol | |
ΔsubH° | 95.50 ± 0.90 | kJ/mol | NIST |
ΔsubH° | 87.90 ± 2.10 | kJ/mol | NIST |
ΔvapH° | 65.07 | kJ/mol | Joback Calculated Property |
IE | 10.71 | eV | NIST |
log10WS | [-3.10; -3.10] | ||
log10WS | -3.10 | Aq. Sol... | |
log10WS | -3.10 | Estimat... | |
logPoct/wat | 1.503 | Crippen Calculated Property | |
McVol | 106.480 | ml/mol | McGowan Calculated Property |
NFPA Fire | 1 | KDB | |
NFPA Health | 3 | KDB | |
NFPA Safety | 4 | KDB | |
Pc | 4730.11 | kPa | Joback Calculated Property |
Tboil | 672.02 | K | Joback Calculated Property |
Tc | 952.61 | K | Joback Calculated Property |
Tfus | [387.70; 391.40] | K | |
Tfus | 391.40 | K | Aq. Sol... |
Tfus | 387.70 ± 0.10 | K | NIST |
Tfus | 390.05 ± 0.20 | K | NIST |
Tfus | 390.00 ± 2.00 | K | NIST |
Tfus | 390.10 ± 0.20 | K | NIST |
Vc | 0.427 | m3/kmol | Joback Calculated Property |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Cp,gas | [254.14; 295.30] | J/mol×K | [672.02; 952.61] | |
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 700 800 900 | ||||
Cp,gas | 254.14 | J/mol×K | 672.02 | Joback Calculated Property |
Cp,gas | 263.06 | J/mol×K | 718.79 | Joback Calculated Property |
Cp,gas | 271.07 | J/mol×K | 765.55 | Joback Calculated Property |
Cp,gas | 278.24 | J/mol×K | 812.32 | Joback Calculated Property |
Cp,gas | 284.63 | J/mol×K | 859.08 | Joback Calculated Property |
Cp,gas | 290.30 | J/mol×K | 905.85 | Joback Calculated Property |
Cp,gas | 295.30 | J/mol×K | 952.61 | Joback Calculated Property |
Cp,solid | [186.20; 200.40] | J/mol×K | [297.90; 298.15] | |
Cp,solid | 186.20 | J/mol×K | 297.90 | NIST |
Cp,solid | 195.00 | J/mol×K | 298.00 | NIST |
Cp,solid | 200.40 | J/mol×K | 298.15 | NIST |
ΔfusH | [22.75; 22.84] | kJ/mol | [390.05; 396.10] | |
ΔfusH | 22.75 | kJ/mol | 390.05 | NIST |
ΔfusH | 22.84 | kJ/mol | 396.10 | NIST |
ΔfusH | 22.84 | kJ/mol | 396.10 | NIST |
ΔfusH | 22.84 | kJ/mol | 396.10 | NIST |
ΔsubH | [82.90; 93.10] | kJ/mol | [333.00; 365.00] | |
ΔsubH | 87.00 ± 1.00 | kJ/mol | 333.00 | NIST |
ΔsubH | 86.60 ± 1.20 | kJ/mol | 333.00 | NIST |
ΔsubH | 93.10 ± 0.90 | kJ/mol | 338.00 | NIST |
ΔsubH | 82.90 | kJ/mol | 365.00 | NIST |
ΔvapH | 60.00 | kJ/mol | 523.50 | NIST |
Psub | [1.08e-04; 0.08] | kPa | [313.15; 383.15] | |
T(K) Sublimation pressure (kPa) 0 0.02 0.04 0.06 0.08 320 340 360 380 | ||||
Psub | 1.08e-04 | kPa | 313.15 | Triacet... |
Psub | 3.42e-04 | kPa | 323.15 | Triacet... |
Psub | 1.06e-03 | kPa | 333.15 | Triacet... |
Psub | 2.92e-03 | kPa | 343.15 | Triacet... |
Psub | 7.42e-03 | kPa | 353.15 | Triacet... |
Psub | 0.02 | kPa | 363.15 | Triacet... |
Psub | 0.08 | kPa | 383.15 | Triacet... |
ΔfusS | [58.30; 58.60] | J/mol×K | [390.05; 396.10] | |
ΔfusS | 58.30 | J/mol×K | 390.05 | NIST |
ΔfusS | 58.60 | J/mol×K | 396.10 | NIST |
Property | Value | Unit | Pressure (kPa) | Source |
---|---|---|---|---|
Tboilr | 592.20 | K | 103.00 | NIST |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Pvap | [1.33; 202.67] | kPa | [455.05; 624.84] | The Yaw... |
Equation | ln(Pvp) = A + B/(T + C) | |||
Coefficient A | 1.56327e+01 | |||
Coefficient B | -5.35249e+03 | |||
Coefficient C | -1.06246e+02 | |||
Temperature range, min. | 455.05 | |||
Temperature range, max. | 624.84 | |||
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 | ||||
Pvap | 1.33 | kPa | 455.05 | Calculated Property |
Pvap | 2.93 | kPa | 473.92 | Calculated Property |
Pvap | 5.96 | kPa | 492.78 | Calculated Property |
Pvap | 11.36 | kPa | 511.65 | Calculated Property |
Pvap | 20.43 | kPa | 530.51 | Calculated Property |
Pvap | 34.95 | kPa | 549.38 | Calculated Property |
Pvap | 57.24 | kPa | 568.24 | Calculated Property |
Pvap | 90.17 | kPa | 587.11 | Calculated Property |
Pvap | 137.27 | kPa | 605.97 | Calculated Property |
Pvap | 202.67 | kPa | 624.84 | Calculated Property |
Pvap | [0.04; 3792.11] | kPa | [390.08; 831.00] | KDB Vap... |
Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
Coefficient A | 1.29655e+02 | |||
Coefficient B | -1.55190e+04 | |||
Coefficient C | -1.57127e+01 | |||
Coefficient D | 4.18666e-06 | |||
Temperature range, min. | 390.08 | |||
Temperature range, max. | 831.00 | |||
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 600 800 | ||||
Pvap | 0.04 | kPa | 390.08 | Calculated Property |
Pvap | 0.61 | kPa | 439.07 | Calculated Property |
Pvap | 4.89 | kPa | 488.06 | Calculated Property |
Pvap | 24.40 | kPa | 537.05 | Calculated Property |
Pvap | 87.27 | kPa | 586.04 | Calculated Property |
Pvap | 244.91 | kPa | 635.04 | Calculated Property |
Pvap | 574.80 | kPa | 684.03 | Calculated Property |
Pvap | 1180.99 | kPa | 733.02 | Calculated Property |
Pvap | 2196.55 | kPa | 782.01 | Calculated Property |
Pvap | 3792.11 | kPa | 831.00 | Calculated Property |
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