- 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
- 13323-81-4
- Other Names
-
- (1-Hydroxyethyl)benzene
- .alpha.-methylbenzyl alcohol
- .alpha.-phenylethyl alcohol
- 1-Fenylethanol
- 1-Phenethyl alcohol
- 1-Phenyl-1-hydroxyethane
- 1-Phenylethyl alcohol
- 1-phenylethanol
- 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
- alpha.-Phenylethanol
- benzyl alcohol, .alpha.-methyl-
- dl-«alpha»-Methylbenzyl alcohol
- sec-Phenethyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- γ : Surface Tension (N/m).
- 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
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.12; 332.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.46800e+01 | |||
| Coefficient B | 7.24820e-01 | |||
| Coefficient C | -4.76200e-04 | |||
| Coefficient D | 1.18800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 253.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 292.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 308.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 321.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 332.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082885; 0.0001806] | Pa×s | [291.56; 478.61] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.45836e+01 | |||
| Coefficient B | 2.85455e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 291.56 | |||
| Temperature range, max. | 478.61 | |||
| η | 0.0082885 | Pa×s | 291.56 | Calculated Property |
| η | 0.0043204 | Pa×s | 312.34 | Calculated Property |
| η | 0.0024428 | Pa×s | 333.13 | Calculated Property |
| η | 0.0014769 | Pa×s | 353.91 | Calculated Property |
| η | 0.0009441 | Pa×s | 374.69 | Calculated Property |
| η | 0.0006326 | Pa×s | 395.48 | Calculated Property |
| η | 0.0004412 | Pa×s | 416.26 | Calculated Property |
| η | 0.0003184 | Pa×s | 437.05 | Calculated Property |
| η | 0.0002367 | Pa×s | 457.83 | Calculated Property |
| η | 0.0001806 | Pa×s | 478.61 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [293.15; 477.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 7.12330e-02 | |||
| Coefficient B | -1.03800e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 477.15 | |||
| γ | 0.04 | N/m | 293.15 | Calculated Property |
| γ | 0.04 | N/m | 313.59 | Calculated Property |
| γ | 0.04 | N/m | 334.04 | Calculated Property |
| γ | 0.03 | N/m | 354.48 | Calculated Property |
| γ | 0.03 | N/m | 374.93 | Calculated Property |
| γ | 0.03 | N/m | 395.37 | Calculated Property |
| γ | 0.03 | N/m | 415.82 | Calculated Property |
| γ | 0.03 | N/m | 436.26 | Calculated Property |
| γ | 0.02 | N/m | 456.71 | Calculated Property |
| γ | 0.02 | N/m | 477.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, «alpha»-methyl-.
Mixtures
- Benzenemethanol, «alpha»-methyl- + Propanoic acid, 2-oxo- + Water
- Benzenemethanol, «alpha»-methyl- + Pentanoic acid + Water
- Benzenemethanol, «alpha»-methyl- + Carbon dioxide
- Benzenemethanol, «alpha»-methyl- + Acetic anhydride + Carbon dioxide
- Benzenemethanol, «alpha»-methyl- + Benzene, ethyl- + Water
- Benzenemethanol, «alpha»-methyl- + Butanoic acid, 3-methyl- + Water
- Benzenemethanol, «alpha»-methyl- + Water
- Benzenemethanol, «alpha»-methyl- + Carbon dioxide + Acetic acid ethenyl ester
- Benzenemethanol, «alpha»-methyl- + Phenol
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- 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
- Solute Partitioning Between 1-n-Butyl-3-methylimidazolium Trifluoromethanesulfonate Ionic Liquid and Supercritical CO2
- 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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