- InChI
- InChI=1S/C17H22N2O4/c1-16(2)11-8-9-17(3,10-11)14(16)23-15(20)18-12-6-4-5-7-13(12)19(21)22/h4-7,11,14H,8-10H2,1-3H3,(H,18,20)
- InChI Key
- OIYUUVKTZUFWQH-UHFFFAOYSA-N
- Formula
- C17H22N2O4
- SMILES
-
CC12CCC(C1)C(C)(C)C2OC(=O)Nc1c
cccc1[N+](=O)[O-] - Molecular Weight1
- 318.37
- CAS
- 93437-08-2
- 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° | 169.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.358 | Crippen Calculated Property | |
| McVol | 239.750 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Tboil | 907.21 | K | Joback Calculated Property |
| Tc | 1160.91 | K | Joback Calculated Property |
| Tfus | 660.40 | K | Joback Calculated Property |
| Vc | 0.920 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.86; 959.34] | J/mol×K | [907.21; 1160.91] | 
|
| Cp,gas | 804.86 | J/mol×K | 907.21 | Joback Calculated Property |
| Cp,gas | 827.00 | J/mol×K | 949.49 | Joback Calculated Property |
| Cp,gas | 850.06 | J/mol×K | 991.78 | Joback Calculated Property |
| Cp,gas | 874.43 | J/mol×K | 1034.06 | Joback Calculated Property |
| Cp,gas | 900.50 | J/mol×K | 1076.35 | Joback Calculated Property |
| Cp,gas | 928.68 | J/mol×K | 1118.63 | Joback Calculated Property |
| Cp,gas | 959.34 | J/mol×K | 1160.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, fenchyl ester.
Sources
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