- InChI
- InChI=1S/C19H32O2/c1-6-9-19(20)21-15-14-18(5)13-8-12-17(4)11-7-10-16(2)3/h10,12,14H,6-9,11,13,15H2,1-5H3/b17-12+,18-14+
- InChI Key
- GPNSLSVRBMEOCK-NXGXIAAHSA-N
- Formula
- C19H32O2
- SMILES
-
CCCC(=O)OCC=C(C)CCC=C(C)CCC=C(
C)C - Molecular Weight1
- 292.46
- Other Names
-
- Farnesyl butanoate, (E,E)-
- 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° | 90.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.16 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.749 | Crippen Calculated Property | |
| McVol | 273.110 | ml/mol | McGowan Calculated Property |
| Pc | 1253.03 | kPa | Joback Calculated Property |
| Inp | [1988.00; 1990.00] |
|
|
| Inp | 1988.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 1988.00 | NIST | |
| Tboil | 722.53 | K | Joback Calculated Property |
| Tc | 910.02 | K | Joback Calculated Property |
| Tfus | 318.93 | K | Joback Calculated Property |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.43; 876.65] | J/mol×K | [722.53; 910.02] |
|
| Cp,gas | 779.43 | J/mol×K | 722.53 | Joback Calculated Property |
| Cp,gas | 797.72 | J/mol×K | 753.78 | Joback Calculated Property |
| Cp,gas | 815.09 | J/mol×K | 785.03 | Joback Calculated Property |
| Cp,gas | 831.62 | J/mol×K | 816.27 | Joback Calculated Property |
| Cp,gas | 847.35 | J/mol×K | 847.52 | Joback Calculated Property |
| Cp,gas | 862.34 | J/mol×K | 878.77 | Joback Calculated Property |
| Cp,gas | 876.65 | J/mol×K | 910.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Farnesyl butyrate.
Sources
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