- InChI
- InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
- InChI Key
- VAYMIYBJLRRIFR-UHFFFAOYSA-N
- Formula
- C8H7NO
- SMILES
- Cc1ccccc1N=C=O
- Molecular Weight1
- 133.15
- CAS
- 614-68-6
- Other Names
-
- Isocyanic acid, o-tolyl ester
- o-Methylphenyl isocyanate
- 2-Methylphenyl isocyanate
- o-Toluene isocyanate
- o-Tolyl isocyanate
- 2-Tolyl isocyanate
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 11.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.87 | kJ/mol | Joback Calculated Property |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 1.962 | Crippen Calculated Property | |
| McVol | 107.070 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Tboil | 480.77 | K | Joback Calculated Property |
| Tc | 703.01 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-isocyanato-2-methyl-.
Sources
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