- InChI
- InChI=1S/C17H22N2O4/c1-5-17(4,12-8-9-13(2)3)23-16(20)18-14-10-6-7-11-15(14)19(21)22/h5-7,9-11H,1,8,12H2,2-4H3,(H,18,20)
- InChI Key
- CULRFNNDFRVPHV-UHFFFAOYSA-N
- Formula
- C17H22N2O4
- SMILES
-
C=CC(C)(CCC=C(C)C)OC(=O)Nc1ccc
cc1[N+](=O)[O-] - Molecular Weight1
- 318.37
- CAS
- 94709-92-9
- 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 | 0.7924 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.834 | Crippen Calculated Property | |
| McVol | 252.870 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Tboil | 629.38 | K | Relay (1.0) Calculated Property |
| Tc | 903.75 | K | Relay (1.0) Calculated Property |
| Tfus | 338.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [773.84; 842.40] | J/mol×K | [895.81; 1131.07] | 
|
| Cp,gas | 773.84 | J/mol×K | 895.81 | Joback Calculated Property |
| Cp,gas | 787.30 | J/mol×K | 935.02 | Joback Calculated Property |
| Cp,gas | 799.80 | J/mol×K | 974.23 | Joback Calculated Property |
| Cp,gas | 811.46 | J/mol×K | 1013.44 | Joback Calculated Property |
| Cp,gas | 822.37 | J/mol×K | 1052.65 | Joback Calculated Property |
| Cp,gas | 832.65 | J/mol×K | 1091.86 | Joback Calculated Property |
| Cp,gas | 842.40 | J/mol×K | 1131.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, linalyl ester.
Sources
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