- InChI
- InChI=1S/C24H35NO4/c1-4-7-8-9-10-11-12-13-18-28-22(26)24(5-2,6-3)23(27)29-21-16-14-20(19-25)15-17-21/h14-17H,4-13,18H2,1-3H3
- InChI Key
- FMKQUIGCDGXBPK-UHFFFAOYSA-N
- Formula
- C24H35NO4
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
Oc1ccc(C#N)cc1 - Molecular Weight1
- 401.54
- 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° | -77.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.04 | Crippen Calculated Property | |
| logPoct/wat | 5.954 | Crippen Calculated Property | |
| McVol | 341.520 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2798.00; 2798.00] |
|
|
| Inp | 2798.00 | NIST | |
| Inp | 2798.00 | NIST | |
| Tboil | 1031.61 | K | Joback Calculated Property |
| Tc | 1263.02 | K | Joback Calculated Property |
| Tfus | 610.91 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1141.34; 1206.24] | J/mol×K | [1031.61; 1263.02] |
|
| Cp,gas | 1141.34 | J/mol×K | 1031.61 | Joback Calculated Property |
| Cp,gas | 1155.21 | J/mol×K | 1070.18 | Joback Calculated Property |
| Cp,gas | 1167.76 | J/mol×K | 1108.75 | Joback Calculated Property |
| Cp,gas | 1179.07 | J/mol×K | 1147.31 | Joback Calculated Property |
| Cp,gas | 1189.20 | J/mol×K | 1185.88 | Joback Calculated Property |
| Cp,gas | 1198.23 | J/mol×K | 1224.45 | Joback Calculated Property |
| Cp,gas | 1206.24 | J/mol×K | 1263.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl decyl ester.
Sources
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