- InChI
- InChI=1S/C20H19NO4/c1-14(2)16-5-9-18(10-6-16)25-20(23)12-11-19(22)24-17-7-3-15(13-21)4-8-17/h3-10,14H,11-12H2,1-2H3
- InChI Key
- CJPYVMGHKQAIIB-UHFFFAOYSA-N
- Formula
- C20H19NO4
- SMILES
-
CC(C)c1ccc(OC(=O)CCC(=O)Oc2ccc
(C#N)cc2)cc1 - Molecular Weight1
- 337.37
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8733 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.973 | Crippen Calculated Property | |
| McVol | 261.400 | ml/mol | McGowan Calculated Property |
| Pc | 1692.12 | kPa | Joback Calculated Property |
| Inp | 2829.00 | NIST | |
| Tboil | 679.55 | K | Relay (1.0) Calculated Property |
| Tc | 948.42 | K | Relay (1.0) Calculated Property |
| Tfus | 369.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.30; 836.15] | J/mol×K | [974.54; 1213.84] | 
|
| Cp,gas | 793.30 | J/mol×K | 974.54 | Joback Calculated Property |
| Cp,gas | 803.67 | J/mol×K | 1014.42 | Joback Calculated Property |
| Cp,gas | 812.70 | J/mol×K | 1054.31 | Joback Calculated Property |
| Cp,gas | 820.42 | J/mol×K | 1094.19 | Joback Calculated Property |
| Cp,gas | 826.89 | J/mol×K | 1134.07 | Joback Calculated Property |
| Cp,gas | 832.11 | J/mol×K | 1173.95 | Joback Calculated Property |
| Cp,gas | 836.15 | J/mol×K | 1213.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-cyanophenyl 4-isopropylphenyl ester.
Sources
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