- InChI
- InChI=1S/C17H23NO6/c1-4-7-11-23-15(19)17(5-2,6-3)16(20)24-14-10-8-9-13(12-14)18(21)22/h8-10,12H,4-7,11H2,1-3H3
- InChI Key
- AOXPJOCZMCUEKS-UHFFFAOYSA-N
- Formula
- C17H23NO6
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc
c([N+](=O)[O-])c1 - Molecular Weight1
- 337.37
- 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° | -234.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.98 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 258.930 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | 2318.00 | NIST | |
| Tboil | 921.21 | K | Joback Calculated Property |
| Tc | 1149.56 | K | Joback Calculated Property |
| Tfus | 610.64 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.12; 871.02] | J/mol×K | [921.21; 1149.56] | 
|
| Cp,gas | 813.12 | J/mol×K | 921.21 | Joback Calculated Property |
| Cp,gas | 825.55 | J/mol×K | 959.27 | Joback Calculated Property |
| Cp,gas | 836.80 | J/mol×K | 997.33 | Joback Calculated Property |
| Cp,gas | 846.92 | J/mol×K | 1035.39 | Joback Calculated Property |
| Cp,gas | 855.96 | J/mol×K | 1073.45 | Joback Calculated Property |
| Cp,gas | 863.98 | J/mol×K | 1111.51 | Joback Calculated Property |
| Cp,gas | 871.02 | J/mol×K | 1149.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 3-nitrophenyl ester.
Sources
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