- InChI
- InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/p-1
- InChI Key
- ISWSIDIOOBJBQZ-UHFFFAOYSA-M
- Formula
- C6H5O-
- SMILES
- [O-]c1ccccc1
- Molecular Weight1
- 93.10
- CAS
- 3229-70-7
- 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 | 0.3231 | Relay (... Calculated Property | |
| ΔfG° | 70.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -43.16 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 53.72 | kJ/mol | Relay (... Calculated Property |
| IE | 7.90 | eV | Relay (... Calculated Property |
| log10WS | -0.83 | Relay (... Calculated Property | |
| logPoct/wat | 0.760 | Crippen Calculated Property | |
| McVol | 75.360 | ml/mol | McGowan Calculated Property |
| Pc | 4752.58 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 418.33 | K | Relay (... Calculated Property |
| Tc | 619.03 | K | Relay (... Calculated Property |
| Tfus | 281.60 | K | Relay (... Calculated Property |
| Vc | 0.254 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to phenoxide anion.
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
- McGowan Method
- NIST Webbook
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