- InChI
- InChI=1S/C17H22N2O4/c1-11(2)13-9-8-12(3)10-16(13)23-17(20)18-14-6-4-5-7-15(14)19(21)22/h4-8,11,13,16H,9-10H2,1-3H3,(H,18,20)
- InChI Key
- TZNDTJVJZCHKMM-UHFFFAOYSA-N
- Formula
- C17H22N2O4
- SMILES
-
CC1=CCC(C(C)C)C(OC(=O)Nc2ccccc
2[N+](=O)[O-])C1 - Molecular Weight1
- 318.37
- 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 | 0.7428 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.524 | Crippen Calculated Property | |
| McVol | 246.310 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Tboil | 629.26 | K | Relay (1.0) Calculated Property |
| Tc | 934.67 | K | Relay (1.0) Calculated Property |
| Tfus | 348.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.65; 857.80] | J/mol×K | [916.90; 1162.47] | 
|
| Cp,gas | 796.65 | J/mol×K | 916.90 | Joback Calculated Property |
| Cp,gas | 810.63 | J/mol×K | 957.83 | Joback Calculated Property |
| Cp,gas | 823.03 | J/mol×K | 998.76 | Joback Calculated Property |
| Cp,gas | 833.90 | J/mol×K | 1039.69 | Joback Calculated Property |
| Cp,gas | 843.28 | J/mol×K | 1080.61 | Joback Calculated Property |
| Cp,gas | 851.23 | J/mol×K | 1121.54 | Joback Calculated Property |
| Cp,gas | 857.80 | J/mol×K | 1162.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, 4-terpinenol ester.
Sources
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