- InChI
- InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,12,17,19-20H,1,8-11,13-16H2,2-6H3/b18-12+
- InChI Key
- HNTNJYMWJHGCBD-LDADJPATSA-N
- Formula
- C20H38
- SMILES
-
C=C/C(C)=C/CCC(C)CCCC(C)CCCC(C
)C - Molecular Weight1
- 278.52
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.6422 | Relay (1.0) Calculated Property | |
| ΔfusH° | 34.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.168 | Crippen Calculated Property | |
| McVol | 284.060 | ml/mol | McGowan Calculated Property |
| Pc | 1100.08 | kPa | Joback Calculated Property |
| Inp | [1883.00; 1883.00] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1883.00 | NIST | |
| I | [1996.00; 1996.00] |
|
|
| I | 1996.00 | NIST | |
| I | 1996.00 | NIST | |
| Tboil | 583.75 | K | Relay (1.0) Calculated Property |
| Tc | 742.81 | K | Relay (1.0) Calculated Property |
| Tfus | 224.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.029 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.00; 910.04] | J/mol×K | [656.40; 830.57] |
|
| Cp,gas | 797.00 | J/mol×K | 656.40 | Joback Calculated Property |
| Cp,gas | 818.15 | J/mol×K | 685.43 | Joback Calculated Property |
| Cp,gas | 838.32 | J/mol×K | 714.46 | Joback Calculated Property |
| Cp,gas | 857.55 | J/mol×K | 743.48 | Joback Calculated Property |
| Cp,gas | 875.89 | J/mol×K | 772.51 | Joback Calculated Property |
| Cp,gas | 893.37 | J/mol×K | 801.54 | Joback Calculated Property |
| Cp,gas | 910.04 | J/mol×K | 830.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to phytadiene 3.
Sources
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