- InChI
- InChI=1S/C20H36O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,15,18H,6-9,11-14,16H2,1-5H3/b19-15+
- InChI Key
- TTXHHXWCLVQXSE-XDJHFCHBSA-N
- Formula
- C20H36O2
- SMILES
-
CCCCC(=O)OCC=C(C)CCCC(C)CCC=C(
C)C - Molecular Weight1
- 308.50
- 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° | 24.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.52 | Crippen Calculated Property | |
| logPoct/wat | 6.219 | Crippen Calculated Property | |
| McVol | 291.500 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [1998.00; 1998.00] |
|
|
| Inp | 1998.00 | NIST | |
| Inp | 1998.00 | NIST | |
| Tboil | 740.93 | K | Joback Calculated Property |
| Tc | 923.80 | K | Joback Calculated Property |
| Tfus | 334.24 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.88; 963.39] | J/mol×K | [740.93; 923.80] |
|
| Cp,gas | 861.88 | J/mol×K | 740.93 | Joback Calculated Property |
| Cp,gas | 881.00 | J/mol×K | 771.41 | Joback Calculated Property |
| Cp,gas | 899.18 | J/mol×K | 801.89 | Joback Calculated Property |
| Cp,gas | 916.47 | J/mol×K | 832.37 | Joback Calculated Property |
| Cp,gas | 932.90 | J/mol×K | 862.84 | Joback Calculated Property |
| Cp,gas | 948.53 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 963.39 | J/mol×K | 923.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dihydrofarnesyl pentanoate.
Sources
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