- InChI
- InChI=1S/C16H14N2O4/c19-16(17-14-10-4-5-11-15(14)18(20)21)22-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,17,19)/b9-6+
- InChI Key
- OZCYFXADSJBCHE-RMKNXTFCSA-N
- Formula
- C16H14N2O4
- SMILES
-
O=C(Nc1ccccc1[N+](=O)[O-])OCC=
Cc1ccccc1 - Molecular Weight1
- 298.29
- CAS
- 93014-31-4
- 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° | 270.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.86 | Crippen Calculated Property | |
| logPoct/wat | 3.857 | Crippen Calculated Property | |
| McVol | 219.320 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Tboil | 906.28 | K | Joback Calculated Property |
| Tc | 1162.61 | K | Joback Calculated Property |
| Tfus | 598.79 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.41; 694.81] | J/mol×K | [906.28; 1162.61] | 
|
| Cp,gas | 641.41 | J/mol×K | 906.28 | Joback Calculated Property |
| Cp,gas | 652.70 | J/mol×K | 949.00 | Joback Calculated Property |
| Cp,gas | 662.89 | J/mol×K | 991.72 | Joback Calculated Property |
| Cp,gas | 672.10 | J/mol×K | 1034.45 | Joback Calculated Property |
| Cp,gas | 680.42 | J/mol×K | 1077.17 | Joback Calculated Property |
| Cp,gas | 687.95 | J/mol×K | 1119.89 | Joback Calculated Property |
| Cp,gas | 694.81 | J/mol×K | 1162.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-nitro carbanilic acid, cinnamyl ester.
Sources
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