Property | Value | Unit | Source |
---|---|---|---|
ΔcH°solid | -2907.50 ± 3.20 | kJ/mol | NIST |
EA | [1.23; 1.27] | eV | |
EA | 1.26 ± 0.10 | eV | NIST |
EA | 1.23 ± 0.09 | eV | NIST |
EA | 1.27 ± 0.05 | eV | NIST |
EA | 1.23 ± 0.05 | eV | NIST |
ΔfG° | 126.04 | kJ/mol | Joback Calculated Property |
ΔfH°gas | 31.39 | kJ/mol | Joback Calculated Property |
ΔfH°solid | -48.74 | kJ/mol | NIST |
ΔfusH° | 15.03 | kJ/mol | Heat Ca... |
ΔsubH° | 74.70 ± 0.10 | kJ/mol | NIST |
ΔvapH° | 52.86 | kJ/mol | Joback Calculated Property |
IE | [9.99; 10.00] | eV | |
IE | 10.00 ± 0.10 | eV | NIST |
IE | 9.99 | eV | NIST |
log10WS | [-2.92; -2.92] | ||
log10WS | -2.92 | Aq. Sol... | |
log10WS | -2.92 | Estimat... | |
logPoct/wat | 2.248 | Crippen Calculated Property | |
McVol | 101.300 | ml/mol | McGowan Calculated Property |
NFPA Fire | 1 | KDB | |
NFPA Health | 2 | KDB | |
NFPA Safety | 3 | KDB | |
Pc | 4426.72 | kPa | Joback Calculated Property |
Inp | [212.00; 1193.00] | ||
Inp | 1189.00 | NIST | |
Inp | 1187.00 | NIST | |
Inp | 1193.00 | NIST | |
Inp | Outlier 212.00 | NIST | |
Inp | 1187.00 | NIST | |
Inp | 1189.00 | NIST | |
I | [1887.00; 1902.00] | ||
I | 1887.00 | NIST | |
I | 1887.00 | NIST | |
I | 1902.00 | NIST | |
I | 1887.00 | NIST | |
Tboil | [512.25; 515.20] | K | |
Tboil | 515.20 | K | NIST |
Tboil | 512.25 ± 0.60 | K | NIST |
Tboil | 512.25 ± 0.50 | K | NIST |
Tc | 817.38 | K | Joback Calculated Property |
Tfus | 356.87 | K | Aq. Sol... |
Vc | 0.395 | m3/kmol | Joback Calculated Property |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Cp,gas | [200.06; 243.57] | J/mol×K | [557.61; 817.38] | |
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 600 700 800 | ||||
Cp,gas | 200.06 | J/mol×K | 557.61 | Joback Calculated Property |
Cp,gas | 209.08 | J/mol×K | 600.91 | Joback Calculated Property |
Cp,gas | 217.33 | J/mol×K | 644.20 | Joback Calculated Property |
Cp,gas | 224.86 | J/mol×K | 687.50 | Joback Calculated Property |
Cp,gas | 231.72 | J/mol×K | 730.79 | Joback Calculated Property |
Cp,gas | 237.94 | J/mol×K | 774.09 | Joback Calculated Property |
Cp,gas | 243.57 | J/mol×K | 817.38 | Joback Calculated Property |
Cp,solid | 250.20 | J/mol×K | 298.00 | NIST |
ΔfusH | [11.85; 18.03] | kJ/mol | [354.60; 358.00] | |
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 12 13 14 15 16 17 18 355 356 357 358 | ||||
ΔfusH | 11.85 | kJ/mol | 354.60 | NIST |
ΔfusH | 11.85 | kJ/mol | 354.60 | NIST |
ΔfusH | 15.03 | kJ/mol | 355.10 | NIST |
ΔfusH | 16.17 | kJ/mol | 356.10 | NIST |
ΔfusH | 14.10 | kJ/mol | 357.00 | NIST |
ΔfusH | 18.03 | kJ/mol | 358.00 | NIST |
ΔsubH | 83.20 | kJ/mol | 293.00 | NIST |
ΔvapH | [36.90; 51.30] | kJ/mol | [450.00; 518.00] | |
ΔvapH | 51.30 | kJ/mol | 450.00 | NIST |
ΔvapH | 36.90 | kJ/mol | 518.00 | NIST |
ΔfusS | [33.40; 69.90] | J/mol×K | [354.60; 358.00] | |
ΔfusS | 33.40 | J/mol×K | 354.60 | NIST |
ΔfusS | 69.90 | J/mol×K | 358.00 | NIST |
ΔvapS | 71.20 | J/mol×K | 518.00 | NIST |
Property | Value | Unit | Pressure (kPa) | Source |
---|---|---|---|---|
Tboilr | 386.20 | K | 1.00 | NIST |
Property | Value | Unit | Temperature (K) | Source |
---|---|---|---|---|
Pvap | [1.33; 202.66] | kPa | [388.49; 545.89] | The Yaw... |
Equation | ln(Pvp) = A + B/(T + C) | |||
Coefficient A | 1.50426e+01 | |||
Coefficient B | -4.49846e+03 | |||
Coefficient C | -8.36130e+01 | |||
Temperature range, min. | 388.49 | |||
Temperature range, max. | 545.89 | |||
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
Pvap | 1.33 | kPa | 388.49 | Calculated Property |
Pvap | 2.97 | kPa | 405.98 | Calculated Property |
Pvap | 6.09 | kPa | 423.47 | Calculated Property |
Pvap | 11.63 | kPa | 440.96 | Calculated Property |
Pvap | 20.93 | kPa | 458.45 | Calculated Property |
Pvap | 35.74 | kPa | 475.93 | Calculated Property |
Pvap | 58.30 | kPa | 493.42 | Calculated Property |
Pvap | 91.37 | kPa | 510.91 | Calculated Property |
Pvap | 138.23 | kPa | 528.40 | Calculated Property |
Pvap | 202.66 | kPa | 545.89 | Calculated Property |
Pvap | [0.23; 4064.86] | kPa | [356.65; 751.00] | KDB Vap... |
Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
Coefficient A | 1.86377e+02 | |||
Coefficient B | -1.58816e+04 | |||
Coefficient C | -2.46220e+01 | |||
Coefficient D | 1.08367e-05 | |||
Temperature range, min. | 356.65 | |||
Temperature range, max. | 751.00 | |||
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 500 600 700 | ||||
Pvap | 0.23 | kPa | 356.65 | Calculated Property |
Pvap | 2.48 | kPa | 400.47 | Calculated Property |
Pvap | 14.34 | kPa | 444.28 | Calculated Property |
Pvap | 54.54 | kPa | 488.10 | Calculated Property |
Pvap | 155.54 | kPa | 531.92 | Calculated Property |
Pvap | 363.62 | kPa | 575.73 | Calculated Property |
Pvap | 741.42 | kPa | 619.55 | Calculated Property |
Pvap | 1377.99 | kPa | 663.37 | Calculated Property |
Pvap | 2410.64 | kPa | 707.18 | Calculated Property |
Pvap | 4064.86 | kPa | 751.00 | Calculated Property |
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