- InChI
- InChI=1S/C26H38O4/c1-2-3-13-20-29-25(27)18-11-6-12-19-26(28)30-24(23-16-9-5-10-17-23)21-22-14-7-4-8-15-22/h5,7,9-10,14,16-17,22,24H,2-4,6,8,11-13,15,18-21H2,1H3
- InChI Key
- HCVFYGTWDIODHF-UHFFFAOYSA-N
- Formula
- C26H38O4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OC(CC1C=C
CCC1)c1ccccc1 - Molecular Weight1
- 414.58
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -135.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.39 | kJ/mol | Joback Calculated Property |
| log10WS | -7.50 | Crippen Calculated Property | |
| logPoct/wat | 6.701 | Crippen Calculated Property | |
| McVol | 353.160 | ml/mol | McGowan Calculated Property |
| Pc | 1080.64 | kPa | Joback Calculated Property |
| Inp | [3077.00; 3077.00] |
|
|
| Inp | 3077.00 | NIST | |
| Inp | 3077.00 | NIST | |
| Tboil | 991.81 | K | Joback Calculated Property |
| Tc | 1216.58 | K | Joback Calculated Property |
| Tfus | 546.66 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1207.84; 1281.54] | J/mol×K | [991.81; 1216.58] |
|
| Cp,gas | 1207.84 | J/mol×K | 991.81 | Joback Calculated Property |
| Cp,gas | 1224.02 | J/mol×K | 1029.27 | Joback Calculated Property |
| Cp,gas | 1238.56 | J/mol×K | 1066.73 | Joback Calculated Property |
| Cp,gas | 1251.52 | J/mol×K | 1104.19 | Joback Calculated Property |
| Cp,gas | 1262.95 | J/mol×K | 1141.66 | Joback Calculated Property |
| Cp,gas | 1272.94 | J/mol×K | 1179.12 | Joback Calculated Property |
| Cp,gas | 1281.54 | J/mol×K | 1216.58 | Joback Calculated Property |
| η | [0.0000228; 0.0004361] | Pa×s | [546.66; 991.81] |
|
| η | 0.0004361 | Pa×s | 546.66 | Joback Calculated Property |
| η | 0.0001988 | Pa×s | 620.85 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 695.04 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 769.24 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 843.43 | Joback Calculated Property |
| η | 0.0000306 | Pa×s | 917.62 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 991.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl pentyl ester.
Sources
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