- InChI
- InChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-11-21-15(18)16-13-9-8-10-14(12-13)17(19)20/h8-10,12H,2-7,11H2,1H3,(H,16,18)
- InChI Key
- XZAZXUURXRVFGJ-UHFFFAOYSA-N
- Formula
- C15H22N2O4
- SMILES
-
CCCCCCCCOC(=O)Nc1cccc([N+](=O)
[O-])c1 - Molecular Weight1
- 294.35
- CAS
- 94205-20-6
- 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).
- 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° | 69.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.504 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Tboil | 852.56 | K | Joback Calculated Property |
| Tc | 1072.02 | K | Joback Calculated Property |
| Tfus | 566.18 | K | Joback Calculated Property |
| Vc | 0.908 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.33; 779.98] | J/mol×K | [852.56; 1072.02] | 
|
| Cp,gas | 714.33 | J/mol×K | 852.56 | Joback Calculated Property |
| Cp,gas | 727.78 | J/mol×K | 889.14 | Joback Calculated Property |
| Cp,gas | 740.18 | J/mol×K | 925.71 | Joback Calculated Property |
| Cp,gas | 751.56 | J/mol×K | 962.29 | Joback Calculated Property |
| Cp,gas | 761.96 | J/mol×K | 998.87 | Joback Calculated Property |
| Cp,gas | 771.42 | J/mol×K | 1035.44 | Joback Calculated Property |
| Cp,gas | 779.98 | J/mol×K | 1072.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to M-nitro carbanilic acid, n-octyl ester.
Sources
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