- InChI
- InChI=1S/C7H7NO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
- InChI Key
- NYJYFSGMYHSTNZ-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- Cc1ccc(N=O)cc1
- Molecular Weight1
- 121.14
- CAS
- 623-11-0
- Other Names
-
- Toluene, p-nitroso-
- p-Methylnitrosobenzene
- p-Nitrosotoluene
- 1-Methyl-4-nitrosobenzene
- 4-Nitrosotoluene
- 4-Methylnitrosobenzene
- 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 | 0.4971 | Relay (... Calculated Property | |
| ΔfG° | 154.70 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 152.29 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 ± 0.10 | eV | NIST |
| log10WS | -2.15 | Relay (... Calculated Property | |
| logPoct/wat | 2.393 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Tboil | 472.93 | K | Relay (... Calculated Property |
| Tc | 683.67 | K | Relay (... Calculated Property |
| Tfus | 354.94 | K | Relay (... Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-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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