- InChI
- InChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
- InChI Key
- GFNKTLQTQSALEJ-UHFFFAOYSA-N
- Formula
- C7H4N2O3
- SMILES
- O=C=Nc1ccc([N+](=O)[O-])cc1
- Molecular Weight1
- 164.12
- CAS
- 100-28-7
- Other Names
-
- Isocyanic acid, p-nitrophenyl ester
- p-Nitrophenyl isocyanate
- 4-Nitrophenyl isocyanate
- 1-Isocyanato-4-nitrobenzene
- 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 | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.24 | kJ/mol | Joback Calculated Property |
| log10WS | -6.60 | Crippen Calculated Property | |
| logPoct/wat | 1.562 | Crippen Calculated Property | |
| McVol | 110.400 | ml/mol | McGowan Calculated Property |
| Pc | 4516.42 | kPa | Joback Calculated Property |
| Tboil | 609.73 | K | Joback Calculated Property |
| Tc | 865.38 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-isocyanato-4-nitro-.
Sources
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