- InChI
- InChI=1S/C10H9NO/c1-8-7-10(11-12-8)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key
- UCGIIOJWRLQBRP-UHFFFAOYSA-N
- Formula
- C10H9NO
- SMILES
- Cc1cc(-c2ccccc2)no1
- Molecular Weight1
- 159.18
- CAS
- 1008-74-8
- Other Names
-
- 5-Methyl-3-phenylisoxazole
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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 | 0.4288 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5235.00 ± 5.40 | kJ/mol | NIST |
| ΔfG° | 210.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 98.70 ± 7.50 | kJ/mol | NIST |
| ΔfH°liquid | 14.00 ± 5.40 | kJ/mol | NIST |
| ΔvapH° | 84.90 ± 4.20 | kJ/mol | NIST |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.650 | Crippen Calculated Property | |
| McVol | 124.390 | ml/mol | McGowan Calculated Property |
| Pc | 4188.25 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 541.56 | K | Relay (1.0) Calculated Property |
| Tc | 755.15 | K | Relay (1.0) Calculated Property |
| Tfus | 272.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![4,4'-Bis[2,2'-(4,4'-quinoline carboxylic acid)]biphenyl.](data:image/png;base64,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)
Find more compounds similar to Isoxazole, 5-methyl-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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