- InChI
- InChI=1S/C25H37NO4/c1-4-7-8-9-10-11-12-13-14-19-29-23(27)25(5-2,6-3)24(28)30-22-17-15-21(20-26)16-18-22/h15-18H,4-14,19H2,1-3H3
- InChI Key
- FELHLYGOFIMNCK-UHFFFAOYSA-N
- Formula
- C25H37NO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1ccc(C#N)cc1 - Molecular Weight1
- 415.57
- 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° | -69.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.68 | kJ/mol | Joback Calculated Property |
| log10WS | -7.46 | Crippen Calculated Property | |
| logPoct/wat | 6.344 | Crippen Calculated Property | |
| McVol | 355.610 | ml/mol | McGowan Calculated Property |
| Pc | 966.87 | kPa | Joback Calculated Property |
| Inp | [2906.00; 2906.00] |
|
|
| Inp | 2906.00 | NIST | |
| Inp | 2906.00 | NIST | |
| Tboil | 1054.49 | K | Joback Calculated Property |
| Tc | 1291.30 | K | Joback Calculated Property |
| Tfus | 622.18 | K | Joback Calculated Property |
| Vc | 1.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1202.46; 1268.17] | J/mol×K | [1054.49; 1291.30] |
|
| Cp,gas | 1202.46 | J/mol×K | 1054.49 | Joback Calculated Property |
| Cp,gas | 1216.59 | J/mol×K | 1093.96 | Joback Calculated Property |
| Cp,gas | 1229.34 | J/mol×K | 1133.43 | Joback Calculated Property |
| Cp,gas | 1240.79 | J/mol×K | 1172.89 | Joback Calculated Property |
| Cp,gas | 1251.03 | J/mol×K | 1212.36 | Joback Calculated Property |
| Cp,gas | 1260.13 | J/mol×K | 1251.83 | Joback Calculated Property |
| Cp,gas | 1268.17 | J/mol×K | 1291.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-cyanophenyl undecyl ester.
Sources
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