- InChI
- InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
- InChI Key
- KSLSOBUAIFEGLT-UHFFFAOYSA-N
- Formula
- C10H10O
- SMILES
- C#CC(C)(O)c1ccccc1
- Molecular Weight1
- 146.19
- CAS
- 127-66-2
- Other Names
-
- 3-Hydroxy-3-phenyl-1-butyne
- Benzenemethanol, «alpha»-ethynyl-«alpha»-methyl-
- «alpha»-Ethynyl-«alpha»-methylbenzenemethanol
- Benzyl alcohol, «alpha»-ethynyl-«alpha»-methyl-
- Methylphenylethynylcarbinol
- 3-Butyn-2-ol, 2-phenyl-
- «alpha»-Ethynyl-«alpha»-methylbenzyl alcohol
- 3-Phenyl-butin-1-ol-(3)
- NSC 4329
- 2-Phenyl-2-hydroxy-3-butyne
- 2-phenylbut-3-yn-2-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 234.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 117.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.527 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 533.95 | K | Joback Calculated Property |
| Tc | 752.59 | K | Joback Calculated Property |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.68; 337.50] | J/mol×K | [533.95; 752.59] | 
|
| Cp,gas | 278.68 | J/mol×K | 533.95 | Joback Calculated Property |
| Cp,gas | 290.58 | J/mol×K | 570.39 | Joback Calculated Property |
| Cp,gas | 301.55 | J/mol×K | 606.83 | Joback Calculated Property |
| Cp,gas | 311.66 | J/mol×K | 643.27 | Joback Calculated Property |
| Cp,gas | 320.98 | J/mol×K | 679.71 | Joback Calculated Property |
| Cp,gas | 329.57 | J/mol×K | 716.15 | Joback Calculated Property |
| Cp,gas | 337.50 | J/mol×K | 752.59 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 366.00 | K | 1.30 | NIST |
Similar Compounds
![Ethanone, 1-[4-(1-hydroxy-1-methylethyl)phenyl]-.](data:image/png;base64,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)
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Sources
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