- InChI
- InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
- InChI Key
- WLNFGKOLWOXXAF-XYAZGONESA-N
- Formula
- C20H34O2
- SMILES
-
CCCCC(=O)OCC=C(C)CCC=C(C)CCC=C
(C)C - Molecular Weight1
- 306.48
- CAS
- 126182-13-6
- 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° | 98.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.62 | Crippen Calculated Property | |
| logPoct/wat | 6.139 | Crippen Calculated Property | |
| McVol | 287.200 | ml/mol | McGowan Calculated Property |
| Pc | 1172.03 | kPa | Joback Calculated Property |
| Inp | [2063.40; 2063.40] |
|
|
| Inp | 2063.40 | NIST | |
| Inp | 2063.40 | NIST | |
| Tboil | 745.41 | K | Joback Calculated Property |
| Tc | 932.54 | K | Joback Calculated Property |
| Tfus | 330.20 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.52; 936.60] | J/mol×K | [745.41; 932.54] |
|
| Cp,gas | 837.52 | J/mol×K | 745.41 | Joback Calculated Property |
| Cp,gas | 856.12 | J/mol×K | 776.60 | Joback Calculated Property |
| Cp,gas | 873.82 | J/mol×K | 807.79 | Joback Calculated Property |
| Cp,gas | 890.66 | J/mol×K | 838.98 | Joback Calculated Property |
| Cp,gas | 906.69 | J/mol×K | 870.17 | Joback Calculated Property |
| Cp,gas | 921.99 | J/mol×K | 901.36 | Joback Calculated Property |
| Cp,gas | 936.60 | J/mol×K | 932.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,6E)-Farnesyl pentanoate.
Sources
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