- InChI
- InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
- InChI Key
- JSTCPNFNKICNNO-UHFFFAOYSA-N
- Formula
- C6H5NO2
- SMILES
- O=Nc1ccc(O)cc1
- Molecular Weight1
- 123.11
- CAS
- 104-91-6
- Other Names
-
- Phenol, p-nitroso-
- p-Nitrosophenol
- Nitrosophenol
- 4-Nitrosophenol
- Quinone monoxime
- p-Chinonmonoxim
- 4-Nitrosofenol
- Benzoquinone monooxime
- NSC 3124
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6328 | Relay (... Calculated Property | |
| ΔfG° | -10.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -2.81 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 75.97 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -1.11 | Relay (... Calculated Property | |
| logPoct/wat | 1.790 | Crippen Calculated Property | |
| McVol | 89.060 | ml/mol | McGowan Calculated Property |
| Pc | 5636.27 | kPa | Joback Calculated Property |
| Tboil | 534.44 | K | Relay (... Calculated Property |
| Tc | 761.75 | K | Relay (... Calculated Property |
| Tfus | 447.73 | K | Relay (... Calculated Property |
| Vc | 0.312 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-nitroso-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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