- InChI
- InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5H,4,6-21H2,1-2H3
- InChI Key
- SEPFQHJECFKHGD-HWKANZROSA-N
- Formula
- C21H42
- SMILES
- C/C=C/CCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 294.57
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8432 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.214 | Crippen Calculated Property | |
| McVol | 302.450 | ml/mol | McGowan Calculated Property |
| Pc | 987.64 | kPa | Joback Calculated Property |
| Inp | 2107.00 | NIST | |
| Tboil | 586.10 | K | Relay (1.0) Calculated Property |
| Tc | 760.57 | K | Relay (1.0) Calculated Property |
| Tfus | 295.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.194 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.97; 1072.16] | 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 | -3.03830e+01 | |||
| Coefficient B | 2.01884e+00 | |||
| Coefficient C | -1.20240e-03 | |||
| Coefficient D | 2.86100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 546.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 643.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 729.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 806.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 873.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 933.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 985.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1031.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1072.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031008; 0.0001216] | Pa×s | [321.35; 594.76] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.28215e+01 | |||
| Coefficient B | 2.26404e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 321.35 | |||
| Temperature range, max. | 594.76 | |||
| η | 0.0031008 | Pa×s | 321.35 | Calculated Property |
| η | 0.0016873 | Pa×s | 351.73 | Calculated Property |
| η | 0.0010115 | Pa×s | 382.11 | Calculated Property |
| η | 0.0006538 | Pa×s | 412.49 | Calculated Property |
| η | 0.0004487 | Pa×s | 442.87 | Calculated Property |
| η | 0.0003231 | Pa×s | 473.24 | Calculated Property |
| η | 0.0002421 | Pa×s | 503.62 | Calculated Property |
| η | 0.0001875 | Pa×s | 534.00 | Calculated Property |
| η | 0.0001492 | Pa×s | 564.38 | Calculated Property |
| η | 0.0001216 | Pa×s | 594.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heneicosene (E).
Sources
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