- InChI
- InChI=1S/C22H30O4/c1-2-3-9-16-25-21(23)19-14-7-8-15-20(19)22(24)26-17-10-13-18-11-5-4-6-12-18/h4-8,11-12,19-20H,2-3,9-10,13-17H2,1H3
- InChI Key
- LOKDAKKKIAGOBT-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
CCCCCOC(=O)C1CC=CCC1C(=O)OCCCc
1ccccc1 - Molecular Weight1
- 358.47
- 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° | -174.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.478 | Crippen Calculated Property | |
| McVol | 296.800 | ml/mol | McGowan Calculated Property |
| Pc | 1372.76 | kPa | Joback Calculated Property |
| Inp | 2618.00 | NIST | |
| Tboil | 896.06 | K | Joback Calculated Property |
| Tc | 1113.65 | K | Joback Calculated Property |
| Tfus | 512.34 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.83; 1045.08] | J/mol×K | [896.06; 1113.65] | 
|
| Cp,gas | 967.83 | J/mol×K | 896.06 | Joback Calculated Property |
| Cp,gas | 984.41 | J/mol×K | 932.32 | Joback Calculated Property |
| Cp,gas | 999.45 | J/mol×K | 968.59 | Joback Calculated Property |
| Cp,gas | 1013.01 | J/mol×K | 1004.85 | Joback Calculated Property |
| Cp,gas | 1025.10 | J/mol×K | 1041.12 | Joback Calculated Property |
| Cp,gas | 1035.78 | J/mol×K | 1077.38 | Joback Calculated Property |
| Cp,gas | 1045.08 | J/mol×K | 1113.65 | Joback Calculated Property |
| η | [0.0000596; 0.0006920] | Pa×s | [512.34; 896.06] |
|
| η | 0.0006920 | Pa×s | 512.34 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 576.29 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 640.25 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 704.20 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 768.15 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 832.11 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 896.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl 3-phenylpropyl ester.
Sources
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