- InChI
- InChI=1S/C23H33NO4/c1-4-7-8-9-10-11-12-17-27-21(25)23(5-2,6-3)22(26)28-20-15-13-19(18-24)14-16-20/h13-16H,4-12,17H2,1-3H3
- InChI Key
- HERXFKUFJNBVCO-UHFFFAOYSA-N
- Formula
- C23H33NO4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1ccc(C#N)cc1 - Molecular Weight1
- 387.51
- 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 | 1.0127 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.564 | Crippen Calculated Property | |
| McVol | 327.430 | ml/mol | McGowan Calculated Property |
| Pc | 1093.54 | kPa | Joback Calculated Property |
| Inp | 2705.00 | NIST | |
| Tboil | 672.45 | K | Relay (1.0) Calculated Property |
| Tc | 906.03 | K | Relay (1.0) Calculated Property |
| Tfus | 332.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1080.67; 1144.83] | J/mol×K | [1008.73; 1235.83] | 
|
| Cp,gas | 1080.67 | J/mol×K | 1008.73 | Joback Calculated Property |
| Cp,gas | 1094.31 | J/mol×K | 1046.58 | Joback Calculated Property |
| Cp,gas | 1106.68 | J/mol×K | 1084.43 | Joback Calculated Property |
| Cp,gas | 1117.86 | J/mol×K | 1122.28 | Joback Calculated Property |
| Cp,gas | 1127.90 | J/mol×K | 1160.13 | Joback Calculated Property |
| Cp,gas | 1136.86 | J/mol×K | 1197.98 | Joback Calculated Property |
| Cp,gas | 1144.83 | J/mol×K | 1235.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl nonyl ester.
Sources
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