- InChI
- InChI=1S/C9H8O/c1-7-2-3-8-5-10-6-9(8)4-7/h2-6H,1H3
- InChI Key
- BJCGCTDHYXCSTL-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- Cc1ccc2cocc2c1
- Molecular Weight1
- 132.16
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3844 | Relay (... Calculated Property | |
| ΔfG° | 107.45 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 20.05 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 55.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.02 | eV | Relay (... Calculated Property |
| log10WS | -3.37 | Relay (... Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 104.620 | ml/mol | McGowan Calculated Property |
| Pc | 4569.60 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1159.00 | NIST | |
| Tboil | 496.00 | K | Relay (... Calculated Property |
| Tc | 746.05 | K | Relay (... Calculated Property |
| Tfus | 307.49 | K | Relay (... Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (... Calculated Property |
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)
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- Crippen Method
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