- InChI
- InChI=1S/C20H27NO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14H,2-10,15H2,1H3
- InChI Key
- DBPHHYFCLLFMEG-UHFFFAOYSA-N
- Formula
- C20H27NO4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(C
#N)cc1 - Molecular Weight1
- 345.43
- 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).
- 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° | -114.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 4.538 | Crippen Calculated Property | |
| McVol | 285.160 | ml/mol | McGowan Calculated Property |
| Pc | 1317.52 | kPa | Joback Calculated Property |
| Inp | 2780.00 | NIST | |
| Tboil | 943.32 | K | Joback Calculated Property |
| Tc | 1159.80 | K | Joback Calculated Property |
| Tfus | 563.41 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.35; 961.27] | J/mol×K | [943.32; 1159.80] | 
|
| Cp,gas | 901.35 | J/mol×K | 943.32 | Joback Calculated Property |
| Cp,gas | 914.27 | J/mol×K | 979.40 | Joback Calculated Property |
| Cp,gas | 925.98 | J/mol×K | 1015.48 | Joback Calculated Property |
| Cp,gas | 936.51 | J/mol×K | 1051.56 | Joback Calculated Property |
| Cp,gas | 945.88 | J/mol×K | 1087.64 | Joback Calculated Property |
| Cp,gas | 954.13 | J/mol×K | 1123.72 | Joback Calculated Property |
| Cp,gas | 961.27 | J/mol×K | 1159.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-cyanophenyl propyl ester.
Sources
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