- InChI
- InChI=1S/C7H7O/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChI Key
- OALYEFSDPVTRSF-UHFFFAOYSA-N
- Formula
- C7H7O
- SMILES
- Cc1ccccc1[O]
- Molecular Weight1
- 107.13
- CAS
- 3174-49-0
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3996 | Relay (... Calculated Property | |
| PAff | 874.50 | kJ/mol | NIST |
| BasG | 842.00 | kJ/mol | NIST |
| ΔfG° | -10.23 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -95.99 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 52.85 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -1.33 | Relay (... Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 89.450 | ml/mol | McGowan Calculated Property |
| Pc | 5001.03 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 444.71 | K | Relay (... Calculated Property |
| Tc | 671.11 | K | Relay (... Calculated Property |
| Tfus | 267.93 | K | Relay (... Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-Me-phenoxy.
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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