- InChI
- InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
- InChI Key
- NLRKCXQQSUWLCH-UHFFFAOYSA-N
- Formula
- C6H5NO
- SMILES
- O=Nc1ccccc1
- Molecular Weight1
- 107.11
- CAS
- 586-96-9
- Other Names
-
- Nitrosobenzene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 854.30 | kJ/mol | NIST |
| BasG | 823.60 | kJ/mol | NIST |
| ΔcH°solid | -3105.00 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | 201.00 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 80.80 | kJ/mol | NIST |
| ΔvapH° | 40.32 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.90] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.09 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 8.90 ± 0.10 | eV | NIST |
| IE | 8.87 | eV | NIST |
| log10WS | -2.23 | Crippen Calculated Property | |
| logPoct/wat | 2.085 | Crippen Calculated Property | |
| McVol | 83.190 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 426.76 | K | Joback Calculated Property |
| Tc | 640.08 | K | Joback Calculated Property |
| Tfus | 339.65 ± 2.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 85.10 | kJ/mol | 318.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, nitroso-.
Sources
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