- InChI
- InChI=1S/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3
- InChI Key
- FCURFTSXOIATDW-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCC(O)Cc1ccccc1
- Molecular Weight1
- 164.24
- CAS
- 705-73-7
- Other Names
-
- DL-1-phenylpentan-2-ol
- 1-Phenylpentan-2-ol
- 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 | 0.6347 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.390 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Ip | [2256.00; 2256.00] |
|
|
| Ip | 2256.00 | NIST | |
| Ip | 2256.00 | NIST | |
| Tboil | 526.66 | K | Relay (1.0) Calculated Property |
| Tc | 724.02 | K | Relay (1.0) Calculated Property |
| Tfus | 275.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.76; 487.51] | 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 | -3.74070e+01 | |||
| Coefficient B | 1.00982e+00 | |||
| Coefficient C | -6.39400e-04 | |||
| Coefficient D | 1.54500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 246.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 293.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 334.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 370.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 401.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 450.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 470.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 487.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0199438; 0.0001215] | Pa×s | [285.97; 534.50] |
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 | -1.48846e+01 | |||
| Coefficient B | 3.13703e+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. | 285.97 | |||
| Temperature range, max. | 534.50 | |||
| η | 0.0199438 | Pa×s | 285.97 | Calculated Property |
| η | 0.0075907 | Pa×s | 313.58 | Calculated Property |
| η | 0.0033780 | Pa×s | 341.20 | Calculated Property |
| η | 0.0016971 | Pa×s | 368.81 | Calculated Property |
| η | 0.0009384 | Pa×s | 396.43 | Calculated Property |
| η | 0.0005605 | Pa×s | 424.04 | Calculated Property |
| η | 0.0003566 | Pa×s | 451.65 | Calculated Property |
| η | 0.0002390 | Pa×s | 479.27 | Calculated Property |
| η | 0.0001673 | Pa×s | 506.88 | Calculated Property |
| η | 0.0001215 | Pa×s | 534.50 | Calculated Property |
Similar Compounds
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Sources
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