- InChI
- InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,12H,1-3H3
- InChI Key
- YQVCMSSJMLGWAM-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- Cc1cc(O)c(C(C)C)cc1N=O
- Molecular Weight1
- 179.22
- CAS
- 2364-54-7
- Other Names
-
- 2-Isopropyl-5-methyl-4-nitrosophenol
- p-Nitrosothymol
- 6-Nitrosothymol
- Phenol, 5-methyl-2-(1-methylethyl)-4-nitroso-
- Thymol, 6-nitroso-
- 2-Methyl-5-isopropylbenzoquinone monoxime
- 5-Methyl-4-nitroso-2-isopropyl phenol
- NSC 32670
- NSC 5054
- 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 | -386.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.222 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Tboil | 608.42 | K | Joback Calculated Property |
| Tc | 828.03 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nitrosothymol.
Sources
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