- InChI
- InChI=1S/C10H14O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9,11H,1-2H3
- InChI Key
- KDNYCTPSPZHJQF-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CC(O)C(C)c1ccccc1
- Molecular Weight1
- 150.22
- Other Names
-
- 3-Phenyl-2-butanol
- Phenethyl alcohol, «alpha»,«beta»-dimethyl-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5457 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.171 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| I | [1964.00; 1964.00] |
|
|
| I | 1964.00 | NIST | |
| I | 1964.00 | NIST | |
| Tboil | 506.96 | K | Relay (1.0) Calculated Property |
| Tc | 714.45 | K | Relay (1.0) Calculated Property |
| Tfus | 283.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.24; 436.46] | 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 | -3.81800e+01 | |||
| Coefficient B | 9.20740e-01 | |||
| Coefficient C | -5.88200e-04 | |||
| Coefficient D | 1.42100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 262.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 299.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 331.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 383.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 436.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0475299; 0.0001213] | Pa×s | [259.70; 522.86] |
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 | -1.49089e+01 | |||
| Coefficient B | 3.08069e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 259.70 | |||
| Temperature range, max. | 522.86 | |||
| η | 0.0475299 | Pa×s | 259.70 | Calculated Property |
| η | 0.0143090 | Pa×s | 288.94 | Calculated Property |
| η | 0.0053713 | Pa×s | 318.18 | Calculated Property |
| η | 0.0023778 | Pa×s | 347.42 | Calculated Property |
| η | 0.0011946 | Pa×s | 376.66 | Calculated Property |
| η | 0.0006627 | Pa×s | 405.90 | Calculated Property |
| η | 0.0003980 | Pa×s | 435.14 | Calculated Property |
| η | 0.0002548 | Pa×s | 464.38 | Calculated Property |
| η | 0.0001720 | Pa×s | 493.62 | Calculated Property |
| η | 0.0001213 | Pa×s | 522.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanol, .alpha.,.beta.-dimethyl-.
Sources
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