- InChI
- InChI=1S/C19H13NO4/c21-19(16-4-2-1-3-5-16)24-18-12-8-15(9-13-18)14-6-10-17(11-7-14)20(22)23/h1-13H
- InChI Key
- XNKFHWLFAVBPKN-UHFFFAOYSA-N
- Formula
- C19H13NO4
- SMILES
-
O=C(Oc1ccc(-c2ccc([N+](=O)[O-]
)cc2)cc1)c1ccccc1 - Molecular Weight1
- 319.31
- CAS
- 3916-45-8
- 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° | 228.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.81 | Crippen Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 232.150 | ml/mol | McGowan Calculated Property |
| Pc | 2448.32 | kPa | Joback Calculated Property |
| Tboil | 952.25 | K | Joback Calculated Property |
| Tc | 1229.64 | K | Joback Calculated Property |
| Tfus | 623.96 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.48; 726.92] | J/mol×K | [952.25; 1229.64] | 
|
| Cp,gas | 680.48 | J/mol×K | 952.25 | Joback Calculated Property |
| Cp,gas | 691.32 | J/mol×K | 998.48 | Joback Calculated Property |
| Cp,gas | 700.76 | J/mol×K | 1044.71 | Joback Calculated Property |
| Cp,gas | 708.92 | J/mol×K | 1090.95 | Joback Calculated Property |
| Cp,gas | 715.93 | J/mol×K | 1137.18 | Joback Calculated Property |
| Cp,gas | 721.89 | J/mol×K | 1183.41 | Joback Calculated Property |
| Cp,gas | 726.92 | J/mol×K | 1229.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4'-nitro-4-biphenyl ester.
Sources
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