- InChI
- InChI=1S/C8H7NO3/c1-12-8(10)6-2-4-7(9-11)5-3-6/h2-5H,1H3
- InChI Key
- CAFWWZWJFFJXTF-UHFFFAOYSA-N
- Formula
- C8H7NO3
- SMILES
- COC(=O)c1ccc(N=O)cc1
- Molecular Weight1
- 165.15
- CAS
- 13170-28-0
- ΔfH°gas : Enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -396.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 1.871 | Crippen Calculated Property | |
| McVol | 118.810 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Tboil | 553.79 | K | Joback Calculated Property |
| Tc | 769.99 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-nitroso-, methyl ester.
Sources
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