- InChI
- InChI=1S/C16H21NO6/c1-4-10-22-14(18)16(5-2,6-3)15(19)23-13-9-7-8-12(11-13)17(20)21/h7-9,11H,4-6,10H2,1-3H3
- InChI Key
- IEMOFZZFHMMGJE-UHFFFAOYSA-N
- Formula
- C16H21NO6
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1cccc
([N+](=O)[O-])c1 - Molecular Weight1
- 323.34
- 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° | -242.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.260 | Crippen Calculated Property | |
| McVol | 244.840 | ml/mol | McGowan Calculated Property |
| Pc | 1865.94 | kPa | Joback Calculated Property |
| Inp | 2230.00 | NIST | |
| Tboil | 898.33 | K | Joback Calculated Property |
| Tc | 1128.13 | K | Joback Calculated Property |
| Tfus | 599.37 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.89; 813.05] | J/mol×K | [898.33; 1128.13] | 
|
| Cp,gas | 755.89 | J/mol×K | 898.33 | Joback Calculated Property |
| Cp,gas | 768.17 | J/mol×K | 936.63 | Joback Calculated Property |
| Cp,gas | 779.29 | J/mol×K | 974.93 | Joback Calculated Property |
| Cp,gas | 789.28 | J/mol×K | 1013.23 | Joback Calculated Property |
| Cp,gas | 798.21 | J/mol×K | 1051.53 | Joback Calculated Property |
| Cp,gas | 806.12 | J/mol×K | 1089.83 | Joback Calculated Property |
| Cp,gas | 813.05 | J/mol×K | 1128.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-nitrophenyl propyl ester.
Sources
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