- InChI
- InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
- InChI Key
- WAPNOHKVXSQRPX-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- CC(O)c1ccccc1
- Molecular Weight1
- 122.16
- CAS
- 98-85-1
- Other Names
-
- (1-Hydroxyethyl)benzene
- .alpha.-methylbenzyl alcohol
- .alpha.-phenylethyl alcohol
- 1-Fenylethanol
- 1-Phenethyl alcohol
- 1-Phenyl-1-hydroxyethane
- 1-Phenylethanol
- 1-Phenylethyl alcohol
- Benzyl alcohol, «alpha»-methyl-
- Benzyl alcohol, «alpha»-methyl-
- Ethanol, 1-phenyl-
- Fenyl-methylkarbinol
- Methanol, methylphenyl-
- Methylphenylcarbinol
- NCI-C55685
- NSC 25502
- Phenylmethylcarbinol
- Styrallyl alcohol
- Styralyl alcohol
- UN 2937
- alcohol methyl benzylic
- benzyl alcohol, .alpha.-methyl-
- dl-«alpha»-Methylbenzyl alcohol
- dl-«alpha»-Methylbenzyl alcohol
- sec-Phenethyl alcohol
- «alpha»-Hydroxyethylbenzene
- «alpha»-Methylbenzenemethanol
- «alpha»-Methylbenzyl alcohol
- «alpha»-Phenethyl alcohol
- «alpha»-Phenylethanol
- «alpha»-Phenylethyl alcohol
- «alpha»-Hydroxyethylbenzene
- «alpha»-Methylbenzenemethanol
- «alpha»-Methylbenzyl alcohol
- «alpha»-Phenethyl alcohol
- «alpha»-Phenylethanol
- «alpha»-Phenylethyl alcohol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5342 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.20 | kJ/mol | NIST |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.92; -0.92] |
|
|
| log10WS | -0.92 | Aq. Solubility Prediction | |
| log10WS | -0.92 | Estimated Solubility | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Inp | [1005.00; 1072.00] |
|
|
| Inp | 1038.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1027.70 | NIST | |
| Inp | 1033.40 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | Outlier 1005.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1038.00 | NIST | |
| I | [1760.00; 1827.00] |
|
|
| I | 1780.00 | NIST | |
| I | 1785.00 | NIST | |
| I | 1796.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1813.00 | NIST | |
| I | 1817.00 | NIST | |
| I | 1764.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1820.00 | NIST | |
| I | 1820.00 | NIST | |
| I | 1820.00 | NIST | |
| I | 1773.00 | NIST | |
| I | 1782.00 | NIST | |
| I | 1785.00 | NIST | |
| I | 1782.00 | NIST | |
| I | 1795.00 | NIST | |
| I | 1795.00 | NIST | |
| I | 1819.00 | NIST | |
| I | 1818.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1791.00 | NIST | |
| I | 1777.00 | NIST | |
| I | 1776.00 | NIST | |
| I | 1812.00 | NIST | |
| I | 1827.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1795.00 | NIST | |
| I | 1816.00 | NIST | |
| I | 1825.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1805.00 | NIST | |
| I | 1805.00 | NIST | |
| I | 1782.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1821.00 | NIST | |
| I | 1801.00 | NIST | |
| Tboil | [475.65; 492.60] | K |
|
| Tboil | 476.85 | K | NIST |
| Tboil | 476.55 | K | NIST |
| Tboil | 475.65 ± 2.00 | K | NIST |
| Tboil | 492.60 ± 0.50 | K | NIST |
| Tc | 688.68 | K | Relay (1.0) Calculated Property |
| Tfus | [288.00; 294.55] | K |
|
| Tfus | 289.82 | K | Aq. Solubility Prediction |
| Tfus | 291.70 | K | Energetics and structural properties of neutral and deprotonated phenyl carbinols |
| Tfus | 293.85 | K | NIST |
| Tfus | 294.55 | K | NIST |
| Tfus | 288.00 ± 2.00 | K | NIST |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 477.20 | K | 99.30 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-methyl-.
Mixtures
- Benzenemethanol, «alpha»-methyl- + Pentanoic acid + Water
- Benzenemethanol, «alpha»-methyl- + Ethylbenzene + Water
- Benzenemethanol, «alpha»-methyl- + Butanoic acid, 3-methyl- + Water
- Benzenemethanol, «alpha»-methyl- + Water
- Benzenemethanol, «alpha»-methyl- + Phenol
- Benzenemethanol, «alpha»-methyl- + Carbon dioxide
- Benzenemethanol, «alpha»-methyl- + Acetic anhydride + Carbon dioxide
- Benzenemethanol, «alpha»-methyl- + Carbon dioxide + Acetic acid ethenyl ester
- Benzenemethanol, «alpha»-methyl- + Propanoic acid, 2-oxo- + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- High pressure vapour liquid equilibria of the binary and some of the ternary and multicomponent mixtures of the carbon dioxide + acetic anhydride + alpha-methylbenzyl alcohol + acetic acid + alpha-methylbenzyl acetate system: Experimental and modelling results
- Ternary liquid liquid equilibria for mixtures of an ionic liquid + n-hexane + an organic compound involved in the kinetic resolution of rac-1-phenyl ethanol (rac-1-phenyl ethanol, vinyl propionate, rac-1-phenylethyl propionate or propionic acid) at 298.2K and atmospheric pressure
- Phase equilibria of the ternary system vinyl acetate/(R,S)-1-phenylethanol/carbon dioxide at high pressure conditions
- Optimization of liquid-liquid equilibria of the type 2 ternary systems (water + valeric acid + aromatic solvent): Modeling through SERLAS
- Phase equilibria of ternary systems (water + pyruvic acid + high boiling alcohol). Thermodynamic modeling and optimization of extraction
- Experimental density, viscosity, interfacial tension and water solubility of ethyl benzene - a-methyl benzyl alcohol - water system
- Optimization and modeling of extraction equilibria of the type 2 ternary systems containing (water + isovaleric acid + solvent)
- Energetics and structural properties of neutral and deprotonated phenyl carbinols
- Vapor-Liquid Equilibrium for Phenol + r-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n-Butyl Formate
- Vapor-Liquid Equilibrium in r-Methylbenzenemethanol + Water
- Liquid-Liquid Equilibrium for the Ternary System Water + Ethylbenzene + Acetophenone and Water + Ethylbenzene + 1-Phenylethanol
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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