- InChI
- InChI=1S/C20H26O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-10,17-18H,2-3,11-15H2,1H3
- InChI Key
- ANYOCAQEWQNMSP-UHFFFAOYSA-N
- Formula
- C20H26O4
- SMILES
-
CCCCOC(=O)C1CC=CCC1C(=O)OCCc1c
cccc1 - Molecular Weight1
- 330.42
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7344 | Relay (1.0) Calculated Property | |
| ΔfG° | -344.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 268.620 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | [2409.00; 2409.00] |
|
|
| Inp | 2409.00 | NIST | |
| Inp | 2409.00 | NIST | |
| Tboil | 645.57 | K | Relay (1.0) Calculated Property |
| Tc | 863.92 | K | Relay (1.0) Calculated Property |
| Tfus | 288.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.16; 917.40] | J/mol×K | [814.36; 1029.93] |
|
| Cp,gas | 836.16 | J/mol×K | 814.36 | Joback Calculated Property |
| Cp,gas | 853.48 | J/mol×K | 850.29 | Joback Calculated Property |
| Cp,gas | 869.25 | J/mol×K | 886.22 | Joback Calculated Property |
| Cp,gas | 883.48 | J/mol×K | 922.15 | Joback Calculated Property |
| Cp,gas | 896.23 | J/mol×K | 958.08 | Joback Calculated Property |
| Cp,gas | 907.53 | J/mol×K | 994.00 | Joback Calculated Property |
| Cp,gas | 917.40 | J/mol×K | 1029.93 | Joback Calculated Property |
| η | [0.0000600; 0.0012766] | Pa×s | [430.14; 814.36] |
|
| η | 0.0012766 | Pa×s | 430.14 | Joback Calculated Property |
| η | 0.0005513 | Pa×s | 494.18 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 558.21 | Joback Calculated Property |
| η | 0.0001727 | Pa×s | 622.25 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 686.29 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 750.32 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 814.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl phenethyl ester.
Sources
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