- InChI
- InChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-10-13-22-16(19)17-14-11-8-9-12-15(14)18(20)21/h8-9,11-12H,2-7,10,13H2,1H3,(H,17,19)
- InChI Key
- LIUBKSDVODUMRW-UHFFFAOYSA-N
- Formula
- C16H24N2O4
- SMILES
-
CCCCCCCCCOC(=O)Nc1ccccc1[N+](=
O)[O-] - Molecular Weight1
- 308.37
- CAS
- 94373-84-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9887 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.894 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1784.86 | kPa | Joback Calculated Property |
| Tboil | 622.25 | K | Relay (1.0) Calculated Property |
| Tc | 901.15 | K | Relay (1.0) Calculated Property |
| Tfus | 330.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.42; 838.13] | J/mol×K | [875.44; 1093.65] | 
|
| Cp,gas | 771.42 | J/mol×K | 875.44 | Joback Calculated Property |
| Cp,gas | 785.09 | J/mol×K | 911.81 | Joback Calculated Property |
| Cp,gas | 797.69 | J/mol×K | 948.18 | Joback Calculated Property |
| Cp,gas | 809.25 | J/mol×K | 984.55 | Joback Calculated Property |
| Cp,gas | 819.81 | J/mol×K | 1020.92 | Joback Calculated Property |
| Cp,gas | 829.43 | J/mol×K | 1057.28 | Joback Calculated Property |
| Cp,gas | 838.13 | J/mol×K | 1093.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, n-nonyl ester.
Sources
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