- InChI
- InChI=1S/C23H40O2/c1-6-7-8-9-10-17-23(24)25-19-18-22(5)16-12-15-21(4)14-11-13-20(2)3/h13,15,18H,6-12,14,16-17,19H2,1-5H3/b21-15+,22-18+
- InChI Key
- HHSVAJNBWYMLPB-QMEDZHDISA-N
- Formula
- C23H40O2
- SMILES
-
CCCCCCCC(=O)OCC=C(C)CCC=C(C)CC
C=C(C)C - Molecular Weight1
- 348.56
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 | 0.8039 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.309 | Crippen Calculated Property | |
| McVol | 329.470 | ml/mol | McGowan Calculated Property |
| Pc | 971.09 | kPa | Joback Calculated Property |
| Inp | [2373.00; 2375.00] |
|
|
| Inp | 2373.00 | NIST | |
| Inp | 2375.00 | NIST | |
| Inp | 2373.00 | NIST | |
| I | [2669.00; 2669.00] |
|
|
| I | 2669.00 | NIST | |
| I | 2669.00 | NIST | |
| Tboil | 617.20 | K | Relay (1.0) Calculated Property |
| Tc | 793.01 | K | Relay (1.0) Calculated Property |
| Tfus | 241.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1017.65; 1122.63] | J/mol×K | [814.05; 1003.63] |
|
| Cp,gas | 1017.65 | J/mol×K | 814.05 | Joback Calculated Property |
| Cp,gas | 1037.32 | J/mol×K | 845.65 | Joback Calculated Property |
| Cp,gas | 1056.02 | J/mol×K | 877.24 | Joback Calculated Property |
| Cp,gas | 1073.84 | J/mol×K | 908.84 | Joback Calculated Property |
| Cp,gas | 1090.84 | J/mol×K | 940.44 | Joback Calculated Property |
| Cp,gas | 1107.08 | J/mol×K | 972.03 | Joback Calculated Property |
| Cp,gas | 1122.63 | J/mol×K | 1003.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Farnesyl octanoate, (E,E)-.
Sources
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