- InChI
- InChI=1S/C19H25NO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(15-20)12-14-17/h11-14H,2-10H2,1H3
- InChI Key
- HOIBETSIIPOZNB-UHFFFAOYSA-N
- Formula
- C19H25NO4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1ccc(C#
N)cc1 - Molecular Weight1
- 331.41
- 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 | 0.9862 | Relay (... Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 45.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.84 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -5.12 | Relay (... Calculated Property | |
| logPoct/wat | 4.148 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1414.37 | kPa | Joback Calculated Property |
| Inp | 2682.00 | NIST | |
| Tboil | 658.16 | K | Relay (... Calculated Property |
| Tc | 876.65 | K | Relay (... Calculated Property |
| Tfus | 339.87 | K | Relay (... Calculated Property |
| Vc | 1.011 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [842.80; 902.29] | J/mol×K | [920.44; 1135.27] | 
|
| Cp,gas | 842.80 | J/mol×K | 920.44 | Joback Calculated Property |
| Cp,gas | 855.52 | J/mol×K | 956.24 | Joback Calculated Property |
| Cp,gas | 867.09 | J/mol×K | 992.05 | Joback Calculated Property |
| Cp,gas | 877.53 | J/mol×K | 1027.85 | Joback Calculated Property |
| Cp,gas | 886.87 | J/mol×K | 1063.66 | Joback Calculated Property |
| Cp,gas | 895.11 | J/mol×K | 1099.46 | Joback Calculated Property |
| Cp,gas | 902.29 | J/mol×K | 1135.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-cyanophenyl ethyl ester.
Sources
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