- InChI
- InChI=1S/C25H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-20-29-24(27)14-13-15-25(28)30-23-18-16-22(21-26)17-19-23/h16-19H,2-15,20H2,1H3
- InChI Key
- KASDUFVGIISLMO-UHFFFAOYSA-N
- Formula
- C25H37NO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1
ccc(C#N)cc1 - Molecular Weight1
- 415.57
- 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° | -72.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.70 | Crippen Calculated Property | |
| logPoct/wat | 6.488 | Crippen Calculated Property | |
| McVol | 355.610 | ml/mol | McGowan Calculated Property |
| Pc | 955.55 | kPa | Joback Calculated Property |
| Inp | [3312.00; 3312.00] |
|
|
| Inp | 3312.00 | NIST | |
| Inp | 3312.00 | NIST | |
| Tboil | 1057.72 | K | Joback Calculated Property |
| Tc | 1296.97 | K | Joback Calculated Property |
| Tfus | 619.76 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1202.16; 1262.64] | J/mol×K | [1057.72; 1296.97] |
|
| Cp,gas | 1202.16 | J/mol×K | 1057.72 | Joback Calculated Property |
| Cp,gas | 1216.07 | J/mol×K | 1097.59 | Joback Calculated Property |
| Cp,gas | 1228.38 | J/mol×K | 1137.47 | Joback Calculated Property |
| Cp,gas | 1239.12 | J/mol×K | 1177.34 | Joback Calculated Property |
| Cp,gas | 1248.38 | J/mol×K | 1217.22 | Joback Calculated Property |
| Cp,gas | 1256.20 | J/mol×K | 1257.09 | Joback Calculated Property |
| Cp,gas | 1262.64 | J/mol×K | 1296.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl tridecyl ester.
Sources
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