- InChI
- InChI=1S/C18H23NO4/c1-2-3-4-5-13-22-17(20)7-6-8-18(21)23-16-11-9-15(14-19)10-12-16/h9-12H,2-8,13H2,1H3
- InChI Key
- OZQOUUWTOCKVDS-UHFFFAOYSA-N
- Formula
- C18H23NO4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)Oc1ccc(C#N
)cc1 - Molecular Weight1
- 317.38
- 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° | -131.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.757 | Crippen Calculated Property | |
| McVol | 256.980 | ml/mol | McGowan Calculated Property |
| Pc | 1522.31 | kPa | Joback Calculated Property |
| Inp | [2561.00; 2561.00] |
|
|
| Inp | 2561.00 | NIST | |
| Inp | 2561.00 | NIST | |
| Tboil | 897.56 | K | Joback Calculated Property |
| Tc | 1111.56 | K | Joback Calculated Property |
| Tfus | 540.87 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.92; 843.84] | J/mol×K | [897.56; 1111.56] |
|
| Cp,gas | 784.92 | J/mol×K | 897.56 | Joback Calculated Property |
| Cp,gas | 797.44 | J/mol×K | 933.23 | Joback Calculated Property |
| Cp,gas | 808.85 | J/mol×K | 968.89 | Joback Calculated Property |
| Cp,gas | 819.18 | J/mol×K | 1004.56 | Joback Calculated Property |
| Cp,gas | 828.44 | J/mol×K | 1040.23 | Joback Calculated Property |
| Cp,gas | 836.65 | J/mol×K | 1075.90 | Joback Calculated Property |
| Cp,gas | 843.84 | J/mol×K | 1111.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl hexyl ester.
Sources
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