- InChI
- InChI=1S/C21H28O4/c1-2-3-15-24-20(22)18-13-7-8-14-19(18)21(23)25-16-9-12-17-10-5-4-6-11-17/h4-8,10-11,18-19H,2-3,9,12-16H2,1H3
- InChI Key
- MVQIXQSCRIFICV-UHFFFAOYSA-N
- Formula
- C21H28O4
- SMILES
-
CCCCOC(=O)C1CC=CCC1C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 344.44
- 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° | -182.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.088 | Crippen Calculated Property | |
| McVol | 282.710 | ml/mol | McGowan Calculated Property |
| Pc | 1475.88 | kPa | Joback Calculated Property |
| Inp | [2525.00; 2525.00] |
|
|
| Inp | 2525.00 | NIST | |
| Inp | 2525.00 | NIST | |
| Tboil | 873.18 | K | Joback Calculated Property |
| Tc | 1091.36 | K | Joback Calculated Property |
| Tfus | 501.07 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.07; 986.08] | J/mol×K | [873.18; 1091.36] |
|
| Cp,gas | 908.07 | J/mol×K | 873.18 | Joback Calculated Property |
| Cp,gas | 924.73 | J/mol×K | 909.54 | Joback Calculated Property |
| Cp,gas | 939.87 | J/mol×K | 945.91 | Joback Calculated Property |
| Cp,gas | 953.54 | J/mol×K | 982.27 | Joback Calculated Property |
| Cp,gas | 965.78 | J/mol×K | 1018.63 | Joback Calculated Property |
| Cp,gas | 976.61 | J/mol×K | 1054.99 | Joback Calculated Property |
| Cp,gas | 986.08 | J/mol×K | 1091.36 | Joback Calculated Property |
| η | [0.0000684; 0.0007647] | Pa×s | [501.07; 873.18] |
|
| η | 0.0007647 | Pa×s | 501.07 | Joback Calculated Property |
| η | 0.0004098 | Pa×s | 563.09 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 625.11 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 687.12 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 749.14 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 811.16 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 873.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 3-phenylpropyl ester.
Sources
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