- InChI
- InChI=1S/C20H40/c1-17(2)11-7-8-13-19(5)15-10-16-20(6)14-9-12-18(3)4/h18-20H,1,7-16H2,2-6H3
- InChI Key
- VJFPRYOKLIGMIR-UHFFFAOYSA-N
- Formula
- C20H40
- SMILES
- C=C(C)CCCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 280.53
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7051 | Relay (1.0) Calculated Property | |
| ΔfusH° | 34.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.392 | Crippen Calculated Property | |
| McVol | 288.360 | ml/mol | McGowan Calculated Property |
| Pc | 1063.10 | kPa | Joback Calculated Property |
| Inp | [1829.00; 1829.00] |
|
|
| Inp | 1829.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Tboil | 585.74 | K | Relay (1.0) Calculated Property |
| Tc | 735.96 | K | Relay (1.0) Calculated Property |
| Tfus | 234.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.16; 1023.98] | 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 | -2.30200e+01 | |||
| Coefficient B | 1.90150e+00 | |||
| Coefficient C | -1.09900e-03 | |||
| Coefficient D | 2.44500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 522.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 615.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 698.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 771.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 836.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 893.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 942.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 986.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1023.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecene, 2,7,11,15-tetramethyl.
Sources
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