- InChI
- InChI=1S/C20H27NO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-17-12-10-16(15-21)11-13-17/h10-13H,4-9,14H2,1-3H3
- InChI Key
- RMPZVJHGGWXLOV-UHFFFAOYSA-N
- Formula
- C20H27NO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc(C#N)cc1 - Molecular Weight1
- 345.43
- 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° | -111.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.394 | Crippen Calculated Property | |
| McVol | 285.160 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | 2409.00 | NIST | |
| Tboil | 940.09 | K | Joback Calculated Property |
| Tc | 1160.16 | K | Joback Calculated Property |
| Tfus | 565.83 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [901.87; 963.90] | J/mol×K | [940.09; 1160.16] | 
|
| Cp,gas | 901.87 | J/mol×K | 940.09 | Joback Calculated Property |
| Cp,gas | 914.91 | J/mol×K | 976.77 | Joback Calculated Property |
| Cp,gas | 926.80 | J/mol×K | 1013.45 | Joback Calculated Property |
| Cp,gas | 937.59 | J/mol×K | 1050.13 | Joback Calculated Property |
| Cp,gas | 947.34 | J/mol×K | 1086.80 | Joback Calculated Property |
| Cp,gas | 956.10 | J/mol×K | 1123.48 | Joback Calculated Property |
| Cp,gas | 963.90 | J/mol×K | 1160.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl hexyl ester.
Sources
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