- InChI
- InChI=1S/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
- InChI Key
- IHASOVONMUHDND-UHFFFAOYSA-N
- Formula
- C14H14O
- SMILES
- Cc1ccc(C(O)c2ccccc2)cc1
- Molecular Weight1
- 198.27
- Other Names
-
- 4-Methylbenzhydrol
- Benzenemethanol, 4-methyl-«alpha»-phenyl-
- Benzhydrol, 4-methyl-
- p-Methylbenzhydrol
- «alpha»-p-tolylbenzyl 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).
- 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 | 0.6267 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.077 | Crippen Calculated Property | |
| McVol | 166.470 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Tboil | 539.77 | K | Relay (1.0) Calculated Property |
| Tc | 843.94 | K | Relay (1.0) Calculated Property |
| Tfus | 325.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.70; 520.72] | 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 | -5.97400e+01 | |||
| Coefficient B | 1.15642e+00 | |||
| Coefficient C | -7.66760e-04 | |||
| Coefficient D | 1.90800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 358.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 397.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 459.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 503.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0098376; 0.0000642] | Pa×s | [325.15; 626.52] |
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 | -1.50834e+01 | |||
| Coefficient B | 3.40167e+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. | 325.15 | |||
| Temperature range, max. | 626.52 | |||
| η | 0.0098376 | Pa×s | 325.15 | Calculated Property |
| η | 0.0037039 | Pa×s | 358.64 | Calculated Property |
| η | 0.0016478 | Pa×s | 392.12 | Calculated Property |
| η | 0.0008327 | Pa×s | 425.61 | Calculated Property |
| η | 0.0004648 | Pa×s | 459.09 | Calculated Property |
| η | 0.0002809 | Pa×s | 492.58 | Calculated Property |
| η | 0.0001810 | Pa×s | 526.06 | Calculated Property |
| η | 0.0001229 | Pa×s | 559.55 | Calculated Property |
| η | 0.0000872 | Pa×s | 593.03 | Calculated Property |
| η | 0.0000642 | Pa×s | 626.52 | Calculated Property |
Similar Compounds
Find more compounds similar to PHENYL-P-TOLYL-METHANOL.
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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