- InChI
- InChI=1S/C19H27NO6/c1-4-7-8-9-14-25-17(21)19(5-2,6-3)18(22)26-16-12-10-15(11-13-16)20(23)24/h10-13H,4-9,14H2,1-3H3
- InChI Key
- YEEPSSKKYSIXNW-UHFFFAOYSA-N
- Formula
- C19H27NO6
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc([N+](=O)[O-])cc1 - Molecular Weight1
- 365.42
- 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° | -217.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.430 | Crippen Calculated Property | |
| McVol | 287.110 | ml/mol | McGowan Calculated Property |
| Pc | 1475.88 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2460.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 966.97 | K | Joback Calculated Property |
| Tc | 1194.79 | K | Joback Calculated Property |
| Tfus | 633.18 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [929.61; 988.65] | J/mol×K | [966.97; 1194.79] |
|
| Cp,gas | 929.61 | J/mol×K | 966.97 | Joback Calculated Property |
| Cp,gas | 942.31 | J/mol×K | 1004.94 | Joback Calculated Property |
| Cp,gas | 953.78 | J/mol×K | 1042.91 | Joback Calculated Property |
| Cp,gas | 964.10 | J/mol×K | 1080.88 | Joback Calculated Property |
| Cp,gas | 973.31 | J/mol×K | 1118.85 | Joback Calculated Property |
| Cp,gas | 981.47 | J/mol×K | 1156.82 | Joback Calculated Property |
| Cp,gas | 988.65 | J/mol×K | 1194.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexyl 4-nitrophenyl ester.
Sources
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