- InChI
- InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
- InChI Key
- RIWRBSMFKVOJMN-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CC(C)(O)Cc1ccccc1
- Molecular Weight1
- 150.22
- Other Names
-
- 1,1-Dimethyl-2-Phenylethanol
- 1,1-Dimethyl-2-phenylethyl alcohol
- 1,1-Dimethylphenylethanol
- 2-Benzyl-2-propanol
- 2-Hydroxy-2-methyl-1-phenylpropane
- 2-Methyl-1-phenylpropan-2-ol
- 2-Methyl-3-phenyl-2-propanol
- Benzyldimethylcarbinol
- DMBC
- Dimethylbenzylcarbinol
- Ethanol, 1,1-dimethyl-2-phenyl-
- NSC 27228
- Phenethyl alcohol, «alpha»,«alpha»-dimethyl-
- Phenyl-tert-butanol
- «alpha»,«alpha»-Dimethyl-«beta»-phenylethyl alcohol
- «alpha»,«alpha»-Dimethylphenethanol
- «alpha»,«alpha»-Dimethylphenethyl alcohol
- «alpha»,«alpha»-Dimethylphenylethyl alcohol
- «beta»-Phenyl-tert-butyl 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).
- 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 | 0.6216 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.000 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | [1124.60; 1140.90] |
|
|
| Inp | 1140.90 | NIST | |
| Inp | 1124.60 | NIST | |
| Inp | 1126.70 | NIST | |
| Inp | 1124.60 | NIST | |
| Ip | [1751.40; 1781.00] |
|
|
| Ip | 1781.00 | NIST | |
| Ip | 1751.40 | NIST | |
| Ip | 1753.90 | NIST | |
| Ip | 1781.00 | NIST | |
| Tboil | 488.20 | K | NIST |
| Tc | 708.81 | K | Relay (1.0) Calculated Property |
| Tfus | 297.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.490 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.40; 436.85] | 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 | -5.92890e+01 | |||
| Coefficient B | 1.03474e+00 | |||
| Coefficient C | -7.53600e-04 | |||
| Coefficient D | 2.15000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 265.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 335.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 385.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 405.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 422.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0142287; 0.0001263] | Pa×s | [297.15; 523.66] |
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 | -1.51749e+01 | |||
| Coefficient B | 3.24559e+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. | 297.15 | |||
| Temperature range, max. | 523.66 | |||
| η | 0.0142287 | Pa×s | 297.15 | Calculated Property |
| η | 0.0060641 | Pa×s | 322.32 | Calculated Property |
| η | 0.0029243 | Pa×s | 347.49 | Calculated Property |
| η | 0.0015562 | Pa×s | 372.65 | Calculated Property |
| η | 0.0008970 | Pa×s | 397.82 | Calculated Property |
| η | 0.0005520 | Pa×s | 422.99 | Calculated Property |
| η | 0.0003588 | Pa×s | 448.16 | Calculated Property |
| η | 0.0002441 | Pa×s | 473.33 | Calculated Property |
| η | 0.0001727 | Pa×s | 498.49 | Calculated Property |
| η | 0.0001263 | Pa×s | 523.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1-phenyl-2-propanol.
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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