- InChI
- InChI=1S/C12H14O2/c1-12(2,13)9-6-10-14-11-7-4-3-5-8-11/h3-5,7-8,13H,10H2,1-2H3
- InChI Key
- YQBNDHADCCFJJQ-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- CC(C)([O])C#CCOc1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 16488-98-5
- 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 | 0.4656 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -42.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 157.170 | ml/mol | McGowan Calculated Property |
| Pc | 2663.03 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 507.98 | K | Relay (1.0) Calculated Property |
| Tc | 734.41 | K | Relay (1.0) Calculated Property |
| Tfus | 296.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-.](data:image/png;base64,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)
Find more compounds similar to 3-Pentyn-2-ol, 2-methyl-5-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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