- InChI
- InChI=1S/C17H20N2O4/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/h4-8,13,16H,1,9-10H2,2-3H3,(H,18,20)
- InChI Key
- FCYUSEUURUKOGF-UHFFFAOYSA-N
- Formula
- C17H20N2O4
- SMILES
-
C=C(C)C1CC=C(C)C(OC(=O)Nc2cccc
c2[N+](=O)[O-])C1 - Molecular Weight1
- 316.35
- CAS
- 98657-68-2
- 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 | 0.7217 | Relay (... Calculated Property | |
| ΔfG° | 202.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.55 | eV | Relay (... Calculated Property |
| log10WS | -4.76 | Relay (... Calculated Property | |
| logPoct/wat | 4.444 | Crippen Calculated Property | |
| McVol | 242.010 | ml/mol | McGowan Calculated Property |
| Pc | 2023.58 | kPa | Joback Calculated Property |
| Tboil | 639.07 | K | Relay (... Calculated Property |
| Tc | 938.17 | K | Relay (... Calculated Property |
| Tfus | 335.49 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.45; 827.77] | J/mol×K | [913.90; 1162.45] | 
|
| Cp,gas | 767.45 | J/mol×K | 913.90 | Joback Calculated Property |
| Cp,gas | 781.06 | J/mol×K | 955.33 | Joback Calculated Property |
| Cp,gas | 793.17 | J/mol×K | 996.75 | Joback Calculated Property |
| Cp,gas | 803.84 | J/mol×K | 1038.18 | Joback Calculated Property |
| Cp,gas | 813.12 | J/mol×K | 1079.60 | Joback Calculated Property |
| Cp,gas | 821.08 | J/mol×K | 1121.03 | Joback Calculated Property |
| Cp,gas | 827.77 | J/mol×K | 1162.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, carveol ester.
Sources
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