- InChI
- InChI=1S/C25H48O2/c1-8-24(7)25(26)27-19-18-23(6)17-11-16-22(5)15-10-14-21(4)13-9-12-20(2)3/h18,20-22,24H,8-17,19H2,1-7H3/b23-18+
- InChI Key
- PNYWYUSUVPFANG-PTGBLXJZSA-N
- Formula
- C25H48O2
- SMILES
-
CCC(C)C(=O)OCC=C(C)CCCC(C)CCCC
(C)CCCC(C)C - Molecular Weight1
- 380.65
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -12.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Joback Calculated Property |
| log10WS | -8.04 | Crippen Calculated Property | |
| logPoct/wat | 7.961 | Crippen Calculated Property | |
| McVol | 366.250 | ml/mol | McGowan Calculated Property |
| Pc | 824.31 | kPa | Joback Calculated Property |
| Inp | [2440.90; 2440.90] |
|
|
| Inp | 2440.90 | NIST | |
| Inp | 2440.90 | NIST | |
| Tboil | 849.97 | K | Joback Calculated Property |
| Tc | 1041.82 | K | Joback Calculated Property |
| Tfus | 364.63 | K | Joback Calculated Property |
| Vc | 1.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.41; 1309.21] | J/mol×K | [849.97; 1041.82] |
|
| Cp,gas | 1196.41 | J/mol×K | 849.97 | Joback Calculated Property |
| Cp,gas | 1218.06 | J/mol×K | 881.94 | Joback Calculated Property |
| Cp,gas | 1238.50 | J/mol×K | 913.92 | Joback Calculated Property |
| Cp,gas | 1257.78 | J/mol×K | 945.89 | Joback Calculated Property |
| Cp,gas | 1275.96 | J/mol×K | 977.87 | Joback Calculated Property |
| Cp,gas | 1293.09 | J/mol×K | 1009.84 | Joback Calculated Property |
| Cp,gas | 1309.21 | J/mol×K | 1041.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phytyl, 2-methylbutanoate.
Sources
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