- InChI
- InChI=1S/C26H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-30-25(28)15-14-16-26(29)31-24-19-17-23(22-27)18-20-24/h17-20H,2-16,21H2,1H3
- InChI Key
- OTPOTHSMZYHVFX-UHFFFAOYSA-N
- Formula
- C26H39NO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc
1ccc(C#N)cc1 - Molecular Weight1
- 429.59
- 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 | 1.2436 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.878 | Crippen Calculated Property | |
| McVol | 369.700 | ml/mol | McGowan Calculated Property |
| Pc | 901.26 | kPa | Joback Calculated Property |
| Inp | 3418.00 | NIST | |
| Tboil | 709.98 | K | Relay (1.0) Calculated Property |
| Tc | 926.06 | K | Relay (1.0) Calculated Property |
| Tfus | 332.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1263.59; 1323.89] | J/mol×K | [1080.60; 1327.80] | 
|
| Cp,gas | 1263.59 | J/mol×K | 1080.60 | Joback Calculated Property |
| Cp,gas | 1277.73 | J/mol×K | 1121.80 | Joback Calculated Property |
| Cp,gas | 1290.15 | J/mol×K | 1163.00 | Joback Calculated Property |
| Cp,gas | 1300.90 | J/mol×K | 1204.20 | Joback Calculated Property |
| Cp,gas | 1310.07 | J/mol×K | 1245.40 | Joback Calculated Property |
| Cp,gas | 1317.71 | J/mol×K | 1286.60 | Joback Calculated Property |
| Cp,gas | 1323.89 | J/mol×K | 1327.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-cyanophenyl tetradecyl ester.
Sources
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