- InChI
- InChI=1S/C11H14N2O4/c1-2-3-8-17-11(14)12-9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
- InChI Key
- FWMIXGBPRUFSQN-UHFFFAOYSA-N
- Formula
- C11H14N2O4
- SMILES
-
CCCCOC(=O)Nc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 238.24
- CAS
- 87457-99-6
- 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° | 35.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 2.943 | Crippen Calculated Property | |
| McVol | 176.930 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Tboil | 761.04 | K | Joback Calculated Property |
| Tc | 991.73 | K | Joback Calculated Property |
| Tfus | 521.10 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.26; 554.37] | J/mol×K | [761.04; 991.73] | 
|
| Cp,gas | 495.26 | J/mol×K | 761.04 | Joback Calculated Property |
| Cp,gas | 507.43 | J/mol×K | 799.49 | Joback Calculated Property |
| Cp,gas | 518.64 | J/mol×K | 837.94 | Joback Calculated Property |
| Cp,gas | 528.91 | J/mol×K | 876.38 | Joback Calculated Property |
| Cp,gas | 538.27 | J/mol×K | 914.83 | Joback Calculated Property |
| Cp,gas | 546.74 | J/mol×K | 953.28 | Joback Calculated Property |
| Cp,gas | 554.37 | J/mol×K | 991.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-nitro carbanilic acid, n-butyl ester.
Sources
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