- InChI
- InChI=1S/C22H31NO4/c1-2-3-4-5-6-7-8-9-17-26-21(24)11-10-12-22(25)27-20-15-13-19(18-23)14-16-20/h13-16H,2-12,17H2,1H3
- InChI Key
- UWUFRNPYAAMRNA-UHFFFAOYSA-N
- Formula
- C22H31NO4
- SMILES
-
CCCCCCCCCCOC(=O)CCCC(=O)Oc1ccc
(C#N)cc1 - Molecular Weight1
- 373.49
- 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 | 1.0999 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.318 | Crippen Calculated Property | |
| McVol | 313.340 | ml/mol | McGowan Calculated Property |
| Pc | 1151.44 | kPa | Joback Calculated Property |
| Inp | [2984.00; 2984.00] |
|
|
| Inp | 2984.00 | NIST | |
| Inp | 2984.00 | NIST | |
| Tboil | 682.81 | K | Relay (1.0) Calculated Property |
| Tc | 898.76 | K | Relay (1.0) Calculated Property |
| Tfus | 325.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.23; 1080.66] | J/mol×K | [989.08; 1211.57] |
|
| Cp,gas | 1020.23 | J/mol×K | 989.08 | Joback Calculated Property |
| Cp,gas | 1033.52 | J/mol×K | 1026.16 | Joback Calculated Property |
| Cp,gas | 1045.48 | J/mol×K | 1063.24 | Joback Calculated Property |
| Cp,gas | 1056.13 | J/mol×K | 1100.32 | Joback Calculated Property |
| Cp,gas | 1065.52 | J/mol×K | 1137.40 | Joback Calculated Property |
| Cp,gas | 1073.69 | J/mol×K | 1174.48 | Joback Calculated Property |
| Cp,gas | 1080.66 | J/mol×K | 1211.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl decyl ester.
Sources
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