- InChI
- InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
- InChI Key
- XPNGNIFUDRPBFJ-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- Cc1ccccc1CO
- Molecular Weight1
- 122.16
- CAS
- 89-95-2
- Other Names
-
- 2-Methylbenzenemethanol
- 2-Methylbenzyl alcohol
- Benzyl alcohol, o-methyl-
- o-Methylbenzyl alcohol
- o-Tolyl alcohol
- o-Tolyl carbinol
- 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).
- 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 | 0.5791 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.487 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Ip | [1951.00; 1996.00] |
|
|
| Ip | 1996.00 | NIST | |
| Ip | 1951.00 | NIST | |
| Tboil | 486.47 | K | Relay (1.0) Calculated Property |
| Tc | 728.76 | K | Relay (1.0) Calculated Property |
| Tfus | 311.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.99; 329.16] | 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 | -1.86990e+01 | |||
| Coefficient B | 6.59420e-01 | |||
| Coefficient C | -4.05960e-04 | |||
| Coefficient D | 9.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 167.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 226.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 250.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 288.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 317.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 329.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042209; 0.0001579] | Pa×s | [311.15; 493.64] |
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 | -1.43556e+01 | |||
| Coefficient B | 2.76547e+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. | 311.15 | |||
| Temperature range, max. | 493.64 | |||
| η | 0.0042209 | Pa×s | 311.15 | Calculated Property |
| η | 0.0024505 | Pa×s | 331.43 | Calculated Property |
| η | 0.0015147 | Pa×s | 351.70 | Calculated Property |
| η | 0.0009867 | Pa×s | 371.98 | Calculated Property |
| η | 0.0006719 | Pa×s | 392.26 | Calculated Property |
| η | 0.0004751 | Pa×s | 412.53 | Calculated Property |
| η | 0.0003471 | Pa×s | 432.81 | Calculated Property |
| η | 0.0002607 | Pa×s | 453.09 | Calculated Property |
| η | 0.0002008 | Pa×s | 473.36 | Calculated Property |
| η | 0.0001579 | Pa×s | 493.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanol, 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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