- InChI
- InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
- InChI Key
- RNDNSYIPLPAXAZ-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CC(CO)c1ccccc1
- Molecular Weight1
- 136.19
- Other Names
-
- .beta.-methylphenethyl alcohol
- 1-(2-Phenyl)-1-propanol
- 1-Hydroxy-2-phenylpropane
- 1-propanol, 2-phenyl-
- 2-Phenylpropan-1-ol
- 2-Phenylpropanol
- 2-Phenylpropyl alcohol
- 2-phenyl-1-propanol
- Hydratropic alcohol
- Hydratropyl alcohol
- NSC 5232
- Phenethyl alcohol, «beta»-methyl-
- «beta»-Methylphenethyl alcohol
- «beta»-Methylphenetyl alcohol
- «beta»-Phenylpropyl 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.
- 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 | 0.5759 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.782 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [1144.60; 1179.00] |
|
|
| Inp | 1144.60 | NIST | |
| Inp | 1179.00 | NIST | |
| I | [1920.00; 1975.10] |
|
|
| I | 1975.10 | NIST | |
| I | 1920.00 | NIST | |
| I | 1975.10 | NIST | |
| I | 1920.00 | NIST | |
| Tboil | 508.88 | K | Relay (1.0) Calculated Property |
| Tc | 725.61 | K | Relay (1.0) Calculated Property |
| Tfus | 239.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.01; 329.13] | J/mol×K | [523.74; 722.83] |
|
| Cp,gas | 267.01 | J/mol×K | 523.74 | Joback Calculated Property |
| Cp,gas | 278.99 | J/mol×K | 556.92 | Joback Calculated Property |
| Cp,gas | 290.28 | J/mol×K | 590.10 | Joback Calculated Property |
| Cp,gas | 300.91 | J/mol×K | 623.28 | Joback Calculated Property |
| Cp,gas | 310.91 | J/mol×K | 656.46 | Joback Calculated Property |
| Cp,gas | 320.31 | J/mol×K | 689.65 | Joback Calculated Property |
| Cp,gas | 329.13 | J/mol×K | 722.83 | Joback Calculated Property |
| Cp,liquid | [273.34; 351.78] | J/mol×K | [273.15; 473.15] |
|
| Cp,liquid | 273.34 | J/mol×K | 273.15 | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| Cp,liquid | 300.98 | J/mol×K | 323.15 | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| Cp,liquid | 325.91 | J/mol×K | 373.15 | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| Cp,liquid | 341.98 | J/mol×K | 423.15 | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| Cp,liquid | 351.78 | J/mol×K | 473.15 | Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry |
| η | [0.0001181; 0.0307952] | Pa×s | [263.43; 523.74] |
|
| η | 0.0307952 | Pa×s | 263.43 | Joback Calculated Property |
| η | 0.0063252 | Pa×s | 306.81 | Joback Calculated Property |
| η | 0.0019230 | Pa×s | 350.20 | Joback Calculated Property |
| η | 0.0007602 | Pa×s | 393.59 | Joback Calculated Property |
| η | 0.0003613 | Pa×s | 436.97 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 480.36 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 523.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [383.70; 389.00] | K | [1.30; 2.40] |
|
| Tboilr | 383.70 | K | 1.30 | NIST |
| Tboilr | 389.00 ± 1.00 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzeneethanol, .beta.-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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