- InChI
- InChI=1S/C18H25NO6/c1-4-7-8-12-24-16(20)18(5-2,6-3)17(21)25-15-11-9-10-14(13-15)19(22)23/h9-11,13H,4-8,12H2,1-3H3
- InChI Key
- DANFYQFTPRJGPM-UHFFFAOYSA-N
- Formula
- C18H25NO6
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
cc([N+](=O)[O-])c1 - Molecular Weight1
- 351.39
- 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° | -225.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 273.020 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | 2410.00 | NIST | |
| Tboil | 944.09 | K | Joback Calculated Property |
| Tc | 1171.77 | K | Joback Calculated Property |
| Tfus | 621.91 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.04; 929.55] | J/mol×K | [944.09; 1171.77] | 
|
| Cp,gas | 871.04 | J/mol×K | 944.09 | Joback Calculated Property |
| Cp,gas | 883.61 | J/mol×K | 982.04 | Joback Calculated Property |
| Cp,gas | 894.98 | J/mol×K | 1019.98 | Joback Calculated Property |
| Cp,gas | 905.20 | J/mol×K | 1057.93 | Joback Calculated Property |
| Cp,gas | 914.34 | J/mol×K | 1095.88 | Joback Calculated Property |
| Cp,gas | 922.43 | J/mol×K | 1133.82 | Joback Calculated Property |
| Cp,gas | 929.55 | J/mol×K | 1171.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-nitrophenyl pentyl ester.
Sources
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