- InChI
- InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
- InChI Key
- IUADYGVMSDKSMB-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CC(C)CC(O)Cc1ccccc1
- Molecular Weight1
- 178.27
- CAS
- 7779-78-4
- Other Names
-
- iso-Butyl benzyl carbinol
- 2-Pentanol, 4-methyl-1-phenyl
- 4-methyl-1-phenylpentan-2-ol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.636 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [1366.00; 1366.00] |
|
|
| Inp | 1366.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1366.00 | NIST | |
| I | 1983.00 | NIST | |
| Tboil | 591.94 | K | Joback Calculated Property |
| Tc | 787.01 | K | Joback Calculated Property |
| Tfus | 282.24 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.68; 483.32] | J/mol×K | [591.94; 787.01] |
|
| Cp,gas | 407.68 | J/mol×K | 591.94 | Joback Calculated Property |
| Cp,gas | 422.21 | J/mol×K | 624.45 | Joback Calculated Property |
| Cp,gas | 435.93 | J/mol×K | 656.96 | Joback Calculated Property |
| Cp,gas | 448.87 | J/mol×K | 689.48 | Joback Calculated Property |
| Cp,gas | 461.06 | J/mol×K | 721.99 | Joback Calculated Property |
| Cp,gas | 472.53 | J/mol×K | 754.50 | Joback Calculated Property |
| Cp,gas | 483.32 | J/mol×K | 787.01 | Joback Calculated Property |
| η | [0.0000668; 0.0286301] | Pa×s | [282.24; 591.94] |
|
| η | 0.0286301 | Pa×s | 282.24 | Joback Calculated Property |
| η | 0.0047767 | Pa×s | 333.86 | Joback Calculated Property |
| η | 0.0012874 | Pa×s | 385.47 | Joback Calculated Property |
| η | 0.0004729 | Pa×s | 437.09 | Joback Calculated Property |
| η | 0.0002146 | Pa×s | 488.71 | Joback Calculated Property |
| η | 0.0001133 | Pa×s | 540.32 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 591.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanol, «alpha»-(2-methylpropyl)-.
Sources
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