- 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
- 344.45
- 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 | 0.7759 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -677.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.088 | Crippen Calculated Property | |
| McVol | 282.710 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | [2525.00; 2525.00] |
|
|
| Inp | 2525.00 | NIST | |
| Inp | 2525.00 | NIST | |
| Tboil | 656.84 | K | Relay (1.0) Calculated Property |
| Tc | 870.80 | K | Relay (1.0) Calculated Property |
| Tfus | 301.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.014 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.85; 975.26] | J/mol×K | [837.24; 1051.22] |
|
| Cp,gas | 894.85 | J/mol×K | 837.24 | Joback Calculated Property |
| Cp,gas | 912.06 | J/mol×K | 872.90 | Joback Calculated Property |
| Cp,gas | 927.70 | J/mol×K | 908.57 | Joback Calculated Property |
| Cp,gas | 941.81 | J/mol×K | 944.23 | Joback Calculated Property |
| Cp,gas | 954.41 | J/mol×K | 979.90 | Joback Calculated Property |
| Cp,gas | 965.55 | J/mol×K | 1015.56 | Joback Calculated Property |
| Cp,gas | 975.26 | J/mol×K | 1051.22 | Joback Calculated Property |
| η | [0.0000523; 0.0011441] | Pa×s | [441.41; 837.24] |
|
| η | 0.0011441 | Pa×s | 441.41 | Joback Calculated Property |
| η | 0.0004896 | Pa×s | 507.38 | Joback Calculated Property |
| η | 0.0002547 | Pa×s | 573.35 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 639.33 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 705.30 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 771.27 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 837.24 | 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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