- InChI
- InChI=1S/C17H24N2O4/c1-11(2)13-9-8-12(3)16(10-13)23-17(20)18-14-6-4-5-7-15(14)19(21)22/h4-7,11-13,16H,8-10H2,1-3H3,(H,18,20)
- InChI Key
- GVUNJXKRYBHIQK-UHFFFAOYSA-N
- Formula
- C17H24N2O4
- SMILES
-
CC(C)C1CCC(C)C(OC(=O)Nc2ccccc2
[N+](=O)[O-])C1 - Molecular Weight1
- 320.38
- 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 | 0.7715 | Relay (1.0) Calculated Property | |
| ΔfG° | 92.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.604 | Crippen Calculated Property | |
| McVol | 250.610 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| Tboil | 634.73 | K | Relay (1.0) Calculated Property |
| Tc | 941.20 | K | Relay (1.0) Calculated Property |
| Tfus | 345.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.41; 898.76] | J/mol×K | [908.09; 1151.45] | 
|
| Cp,gas | 832.41 | J/mol×K | 908.09 | Joback Calculated Property |
| Cp,gas | 847.60 | J/mol×K | 948.65 | Joback Calculated Property |
| Cp,gas | 861.08 | J/mol×K | 989.21 | Joback Calculated Property |
| Cp,gas | 872.89 | J/mol×K | 1029.77 | Joback Calculated Property |
| Cp,gas | 883.08 | J/mol×K | 1070.33 | Joback Calculated Property |
| Cp,gas | 891.68 | J/mol×K | 1110.89 | Joback Calculated Property |
| Cp,gas | 898.76 | J/mol×K | 1151.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, l-menthyl ester.
Sources
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