- InChI
- InChI=1S/C22H30N2O4/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-28-22(25)23-20-13-5-6-14-21(20)24(26)27/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,25)/b18-11+,19-15+
- InChI Key
- RZEDEDGDSVTKGG-CFBAGHHKSA-N
- Formula
- C22H30N2O4
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)
Nc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 386.48
- CAS
- 100576-25-8
- 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 | 0.9016 | Relay (1.0) Calculated Property | |
| ΔfG° | 343.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.562 | Crippen Calculated Property | |
| McVol | 319.020 | ml/mol | McGowan Calculated Property |
| Pc | 1301.41 | kPa | Joback Calculated Property |
| Tboil | 664.05 | K | Relay (1.0) Calculated Property |
| Tc | 949.02 | K | Relay (1.0) Calculated Property |
| Tfus | 331.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1040.85; 1124.37] | J/mol×K | [1024.84; 1261.92] | 
|
| Cp,gas | 1040.85 | J/mol×K | 1024.84 | Joback Calculated Property |
| Cp,gas | 1056.08 | J/mol×K | 1064.35 | Joback Calculated Property |
| Cp,gas | 1070.61 | J/mol×K | 1103.87 | Joback Calculated Property |
| Cp,gas | 1084.57 | J/mol×K | 1143.38 | Joback Calculated Property |
| Cp,gas | 1098.10 | J/mol×K | 1182.89 | Joback Calculated Property |
| Cp,gas | 1111.32 | J/mol×K | 1222.41 | Joback Calculated Property |
| Cp,gas | 1124.37 | J/mol×K | 1261.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, farnesol ester.
Sources
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