- InChI
- InChI=1S/C15H17NO4/c1-2-10-19-14(17)4-3-5-15(18)20-13-8-6-12(11-16)7-9-13/h6-9H,2-5,10H2,1H3
- InChI Key
- HWXJUVFTZQEFDO-UHFFFAOYSA-N
- Formula
- C15H17NO4
- SMILES
-
CCCOC(=O)CCCC(=O)Oc1ccc(C#N)cc
1 - Molecular Weight1
- 275.30
- 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° | -156.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 2.587 | Crippen Calculated Property | |
| McVol | 214.710 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | [2239.00; 2239.00] |
|
|
| Inp | 2239.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Tboil | 828.92 | K | Joback Calculated Property |
| Tc | 1044.89 | K | Joback Calculated Property |
| Tfus | 507.06 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.93; 671.96] | J/mol×K | [828.92; 1044.89] |
|
| Cp,gas | 615.93 | J/mol×K | 828.92 | Joback Calculated Property |
| Cp,gas | 627.69 | J/mol×K | 864.92 | Joback Calculated Property |
| Cp,gas | 638.46 | J/mol×K | 900.91 | Joback Calculated Property |
| Cp,gas | 648.27 | J/mol×K | 936.91 | Joback Calculated Property |
| Cp,gas | 657.11 | J/mol×K | 972.90 | Joback Calculated Property |
| Cp,gas | 665.01 | J/mol×K | 1008.90 | Joback Calculated Property |
| Cp,gas | 671.96 | J/mol×K | 1044.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl propyl ester.
Sources
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