- InChI
- InChI=1S/C22H31NO4/c1-4-7-8-9-10-11-16-26-20(24)22(5-2,6-3)21(25)27-19-14-12-18(17-23)13-15-19/h12-15H,4-11,16H2,1-3H3
- InChI Key
- DSAJTWSPDVTGTD-UHFFFAOYSA-N
- Formula
- C22H31NO4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(C#N)cc1 - Molecular Weight1
- 373.49
- 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° | -94.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.20 | Crippen Calculated Property | |
| logPoct/wat | 5.174 | Crippen Calculated Property | |
| McVol | 313.340 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 985.85 | K | Joback Calculated Property |
| Tc | 1209.67 | K | Joback Calculated Property |
| Tfus | 588.37 | K | Joback Calculated Property |
| Vc | 1.222 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1020.51; 1083.96] | J/mol×K | [985.85; 1209.67] |
|
| Cp,gas | 1020.51 | J/mol×K | 985.85 | Joback Calculated Property |
| Cp,gas | 1033.93 | J/mol×K | 1023.15 | Joback Calculated Property |
| Cp,gas | 1046.14 | J/mol×K | 1060.46 | Joback Calculated Property |
| Cp,gas | 1057.19 | J/mol×K | 1097.76 | Joback Calculated Property |
| Cp,gas | 1067.13 | J/mol×K | 1135.06 | Joback Calculated Property |
| Cp,gas | 1076.04 | J/mol×K | 1172.37 | Joback Calculated Property |
| Cp,gas | 1083.96 | J/mol×K | 1209.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl octyl ester.
Sources
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