- InChI
- InChI=1S/C13H18N2O4/c1-3-4-7-10(2)19-13(16)14-11-8-5-6-9-12(11)15(17)18/h5-6,8-10H,3-4,7H2,1-2H3,(H,14,16)
- InChI Key
- OKAIAEGTZMZQOD-UHFFFAOYSA-N
- Formula
- C13H18N2O4
- SMILES
-
CCCCC(C)OC(=O)Nc1ccccc1[N+](=O
)[O-] - Molecular Weight1
- 266.29
- CAS
- 93429-11-9
- 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° | 49.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.27 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 3.722 | Crippen Calculated Property | |
| McVol | 205.110 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Tboil | 806.36 | K | Joback Calculated Property |
| Tc | 1033.77 | K | Joback Calculated Property |
| Tfus | 528.64 | K | Joback Calculated Property |
| Vc | 0.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.38; 666.85] | J/mol×K | [806.36; 1033.77] | 
|
| Cp,gas | 603.38 | J/mol×K | 806.36 | Joback Calculated Property |
| Cp,gas | 616.49 | J/mol×K | 844.26 | Joback Calculated Property |
| Cp,gas | 628.54 | J/mol×K | 882.16 | Joback Calculated Property |
| Cp,gas | 639.57 | J/mol×K | 920.06 | Joback Calculated Property |
| Cp,gas | 649.61 | J/mol×K | 957.97 | Joback Calculated Property |
| Cp,gas | 658.69 | J/mol×K | 995.87 | Joback Calculated Property |
| Cp,gas | 666.85 | J/mol×K | 1033.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, 2-hexyl ester.
Sources
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