- InChI
- InChI=1S/C13H16N2O4/c1-2-3-4-7-10-19-13(16)14-11-8-5-6-9-12(11)15(17)18/h3-6,8-9H,2,7,10H2,1H3,(H,14,16)/b4-3+
- InChI Key
- ZWEYLUMVMZATIJ-ONEGZZNKSA-N
- Formula
- C13H16N2O4
- SMILES
-
CCC=CCCOC(=O)Nc1ccccc1[N+](=O)
[O-] - Molecular Weight1
- 264.28
- CAS
- 92109-06-3
- 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° | 132.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.500 | Crippen Calculated Property | |
| McVol | 200.810 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Tboil | 810.96 | K | Joback Calculated Property |
| Tc | 1042.11 | K | Joback Calculated Property |
| Tfus | 538.56 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.49; 637.38] | J/mol×K | [810.96; 1042.11] | 
|
| Cp,gas | 576.49 | J/mol×K | 810.96 | Joback Calculated Property |
| Cp,gas | 588.88 | J/mol×K | 849.48 | Joback Calculated Property |
| Cp,gas | 600.30 | J/mol×K | 888.01 | Joback Calculated Property |
| Cp,gas | 610.80 | J/mol×K | 926.53 | Joback Calculated Property |
| Cp,gas | 620.45 | J/mol×K | 965.06 | Joback Calculated Property |
| Cp,gas | 629.29 | J/mol×K | 1003.58 | Joback Calculated Property |
| Cp,gas | 637.38 | J/mol×K | 1042.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitrocarbanilic acid, 3-hexen-1-ol ester.
Sources
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