- InChI
- InChI=1S/C22H30N2O4/c1-14-9-10-17-20(2,3)18-13-22(14,17)12-11-21(18,4)28-19(25)23-15-7-5-6-8-16(15)24(26)27/h5-8,14,17-18H,9-13H2,1-4H3,(H,23,25)
- InChI Key
- HFRKDCZGTMMNIX-UHFFFAOYSA-N
- Formula
- C22H30N2O4
- SMILES
-
CC1CCC2C(C)(C)C3CC12CCC3(C)OC(
=O)Nc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 386.48
- CAS
- 104913-49-7
- 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 | 0.7873 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.774 | Crippen Calculated Property | |
| McVol | 299.340 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Tboil | 668.37 | K | Relay (1.0) Calculated Property |
| Tc | 1052.27 | K | Relay (1.0) Calculated Property |
| Tfus | 420.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1131.17; 1423.79] | J/mol×K | [1028.19; 1288.62] | 
|
| Cp,gas | 1131.17 | J/mol×K | 1028.19 | Joback Calculated Property |
| Cp,gas | 1169.08 | J/mol×K | 1071.60 | Joback Calculated Property |
| Cp,gas | 1210.50 | J/mol×K | 1115.00 | Joback Calculated Property |
| Cp,gas | 1256.07 | J/mol×K | 1158.41 | Joback Calculated Property |
| Cp,gas | 1306.39 | J/mol×K | 1201.81 | Joback Calculated Property |
| Cp,gas | 1362.09 | J/mol×K | 1245.22 | Joback Calculated Property |
| Cp,gas | 1423.79 | J/mol×K | 1288.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, cedrol ester.
Sources
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