- InChI
- InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
- InChI Key
- WYTRYIUQUDTGSX-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CC(O)Cc1ccccc1
- Molecular Weight1
- 136.19
- Other Names
-
- .alpha.-methylphenethyl alcohol
- 1-phenyl-2-propanol
- 1-phenylpropan-2-ol
- 2-Hydroxy-1-phenylpropane
- 2-propanol, 1-phenyl-
- Benzenethanol, «alpha»-methyl-
- Benzyl methyl carbinol
- NSC 53553
- Phenethyl alcohol, «alpha»-methyl-
- benzylmethylcarbinol
- «alpha»-Methylbenzeneethanol
- «alpha»-Methylphenethyl alcohol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.5841 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.610 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [1212.00; 1212.00] |
|
|
| Inp | 1212.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Ip | [1771.00; 1779.00] |
|
|
| Ip | 1771.00 | NIST | |
| Ip | 1773.00 | NIST | |
| Ip | 1778.00 | NIST | |
| Ip | 1779.00 | NIST | |
| Ip | 1771.00 | NIST | |
| Tboil | 498.95 | K | Relay (1.0) Calculated Property |
| Tc | 694.46 | K | Relay (1.0) Calculated Property |
| Tfus | 268.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.34; 384.33] | 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 | -3.55890e+01 | |||
| Coefficient B | 8.19820e-01 | |||
| Coefficient C | -5.30600e-04 | |||
| Coefficient D | 1.30700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 231.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 263.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 292.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 384.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0307952; 0.0001436] | Pa×s | [263.43; 506.17] |
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 | -1.46739e+01 | |||
| Coefficient B | 2.94871e+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. | 263.43 | |||
| Temperature range, max. | 506.17 | |||
| η | 0.0307952 | Pa×s | 263.43 | Calculated Property |
| η | 0.0108890 | Pa×s | 290.40 | Calculated Property |
| η | 0.0045944 | Pa×s | 317.37 | Calculated Property |
| η | 0.0022191 | Pa×s | 344.34 | Calculated Property |
| η | 0.0011914 | Pa×s | 371.32 | Calculated Property |
| η | 0.0006958 | Pa×s | 398.29 | Calculated Property |
| η | 0.0004351 | Pa×s | 425.26 | Calculated Property |
| η | 0.0002877 | Pa×s | 452.23 | Calculated Property |
| η | 0.0001993 | Pa×s | 479.20 | Calculated Property |
| η | 0.0001436 | Pa×s | 506.17 | Calculated Property |
Similar Compounds
Find more compounds similar to BENZENETHANOL, alpha-METHYL-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry
- Joback Method
- McGowan Method
- NIST Webbook
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