- InChI
- InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
- InChI Key
- RUGISKODRCWQNE-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- Cc1ccccc1CCO
- Molecular Weight1
- 136.19
- CAS
- 19819-98-8
- Other Names
-
- 2-(2-Methylphenyl)ethanol
- 2-Methylphenethyl alcohol
- 2-o-tolylethanol
- Phenethyl alcohol, 2'-methyl
- Phenethyl alcohol, o-methyl-
- o-Methylphenethyl 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).
- 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 | 0.6307 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.530 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Inp | [1216.00; 1216.00] |
|
|
| Inp | 1216.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Ip | 2012.00 | NIST | |
| Tboil | 516.70 | K | NIST |
| Tc | 745.43 | K | Relay (1.0) Calculated Property |
| Tfus | 275.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.20; 380.75] | 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 | -1.96080e+01 | |||
| Coefficient B | 7.54420e-01 | |||
| Coefficient C | -4.60360e-04 | |||
| Coefficient D | 1.06300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 289.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 333.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 351.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 367.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 380.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0173713; 0.0001486] | Pa×s | [275.15; 507.80] |
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 | -1.44459e+01 | |||
| Coefficient B | 2.85963e+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. | 275.15 | |||
| Temperature range, max. | 507.80 | |||
| η | 0.0173713 | Pa×s | 275.15 | Calculated Property |
| η | 0.0071155 | Pa×s | 301.00 | Calculated Property |
| η | 0.0033565 | Pa×s | 326.85 | Calculated Property |
| η | 0.0017677 | Pa×s | 352.70 | Calculated Property |
| η | 0.0010161 | Pa×s | 378.55 | Calculated Property |
| η | 0.0006270 | Pa×s | 404.40 | Calculated Property |
| η | 0.0004100 | Pa×s | 430.25 | Calculated Property |
| η | 0.0002813 | Pa×s | 456.10 | Calculated Property |
| η | 0.0002010 | Pa×s | 481.95 | Calculated Property |
| η | 0.0001486 | Pa×s | 507.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanol, 2-methyl-.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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