- InChI
- InChI=1S/C24H34O4/c1-2-18-27-23(25)16-10-5-11-17-24(26)28-22(21-14-8-4-9-15-21)19-20-12-6-3-7-13-20/h4,6,8-9,12,14-15,20,22H,2-3,5,7,10-11,13,16-19H2,1H3
- InChI Key
- FRXMXGBNISBSFE-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CCCOC(=O)CCCCCC(=O)OC(CC1C=CCC
C1)c1ccccc1 - Molecular Weight1
- 386.52
- 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° | -152.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.921 | Crippen Calculated Property | |
| McVol | 324.980 | ml/mol | McGowan Calculated Property |
| Pc | 1231.15 | kPa | Joback Calculated Property |
| Inp | 2835.00 | NIST | |
| Tboil | 946.05 | K | Joback Calculated Property |
| Tc | 1166.77 | K | Joback Calculated Property |
| Tfus | 524.12 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.02; 1160.25] | J/mol×K | [946.05; 1166.77] | 
|
| Cp,gas | 1085.02 | J/mol×K | 946.05 | Joback Calculated Property |
| Cp,gas | 1101.29 | J/mol×K | 982.84 | Joback Calculated Property |
| Cp,gas | 1115.99 | J/mol×K | 1019.62 | Joback Calculated Property |
| Cp,gas | 1129.18 | J/mol×K | 1056.41 | Joback Calculated Property |
| Cp,gas | 1140.91 | J/mol×K | 1093.19 | Joback Calculated Property |
| Cp,gas | 1151.25 | J/mol×K | 1129.98 | Joback Calculated Property |
| Cp,gas | 1160.25 | J/mol×K | 1166.77 | Joback Calculated Property |
| η | [0.0000309; 0.0005608] | Pa×s | [524.12; 946.05] |
|
| η | 0.0005608 | Pa×s | 524.12 | Joback Calculated Property |
| η | 0.0002599 | Pa×s | 594.44 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 664.76 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 735.09 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 805.41 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 875.73 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 946.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl propyl ester.
Sources
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