- InChI
- InChI=1S/C19H36/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h7,10,17-19H,1,8-9,11-15H2,2-6H3/b10-7+
- InChI Key
- IVMZFGQGYPWKIO-JXMROGBWSA-N
- Formula
- C19H36
- SMILES
- C=C(C)C=CCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 264.49
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 32.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.778 | Crippen Calculated Property | |
| McVol | 269.970 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | [1843.00; 1861.00] |
|
|
| Inp | 1843.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Tboil | 563.24 | K | Relay (1.0) Calculated Property |
| Tfus | 227.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [383.94; 941.81] | 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 | -3.62930e+01 | |||
| Coefficient B | 1.82650e+00 | |||
| Coefficient C | -1.12840e-03 | |||
| Coefficient D | 2.80000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 383.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 481.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 567.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 643.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 710.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 769.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 821.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 866.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 906.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 941.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to phytadiene.
Sources
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