- InChI
- InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
- InChI Key
- ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
- Formula
- C9H7NO
- SMILES
- c1ccc(-c2ccon2)cc1
- Molecular Weight1
- 145.16
- CAS
- 1006-65-1
- Other Names
-
- 3-Phenylisoxazole
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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 | 0.3883 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4617.50 ± 4.60 | kJ/mol | NIST |
| ΔfG° | 233.39 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 139.00 ± 6.30 | kJ/mol | NIST |
| ΔfH°liquid | 75.30 ± 4.60 | kJ/mol | NIST |
| ΔvapH° | 64.00 ± 4.20 | kJ/mol | NIST |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.342 | Crippen Calculated Property | |
| McVol | 110.300 | ml/mol | McGowan Calculated Property |
| Pc | 4877.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 527.26 | K | Relay (1.0) Calculated Property |
| Tc | 759.61 | K | Relay (1.0) Calculated Property |
| Tfus | 272.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isoxazole, 3-phenyl-.
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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