- InChI
- InChI=1S/C25H44O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,20H,6-14,16,18-19,21H2,1-5H3/b23-17+,24-20+
- InChI Key
- ZSPZCKNQANJUIH-KSTRTYLUSA-N
- Formula
- C25H44O2
- SMILES
-
CCCCCCCCCC(=O)OCC=C(C)CCC=C(C)
CCC=C(C)C - Molecular Weight1
- 376.62
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 140.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.51 | kJ/mol | Joback Calculated Property |
| log10WS | -8.71 | Crippen Calculated Property | |
| logPoct/wat | 8.090 | Crippen Calculated Property | |
| McVol | 357.650 | ml/mol | McGowan Calculated Property |
| Pc | 864.54 | kPa | Joback Calculated Property |
| I | [2886.00; 2886.00] |
|
|
| I | 2886.00 | NIST | |
| I | 2886.00 | NIST | |
| Tboil | 859.81 | K | Joback Calculated Property |
| Tc | 1054.48 | K | Joback Calculated Property |
| Tfus | 386.55 | K | Joback Calculated Property |
| Vc | 1.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1142.06; 1251.84] | J/mol×K | [859.81; 1054.48] |
|
| Cp,gas | 1142.06 | J/mol×K | 859.81 | Joback Calculated Property |
| Cp,gas | 1162.60 | J/mol×K | 892.26 | Joback Calculated Property |
| Cp,gas | 1182.14 | J/mol×K | 924.70 | Joback Calculated Property |
| Cp,gas | 1200.76 | J/mol×K | 957.15 | Joback Calculated Property |
| Cp,gas | 1218.53 | J/mol×K | 989.59 | Joback Calculated Property |
| Cp,gas | 1235.53 | J/mol×K | 1022.04 | Joback Calculated Property |
| Cp,gas | 1251.84 | J/mol×K | 1054.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-Farnesyl caprate.
Sources
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