- InChI
- InChI=1S/C10H12O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2
- InChI Key
- RWMGQGIAEZVPKY-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- O=C(CO)CCc1ccccc1
- Molecular Weight1
- 164.20
- 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 | 0.6806 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.181 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Ip | [2432.00; 2432.00] |
|
|
| Ip | 2432.00 | NIST | |
| Ip | 2432.00 | NIST | |
| Tboil | 546.29 | K | Relay (1.0) Calculated Property |
| Tc | 788.45 | K | Relay (1.0) Calculated Property |
| Tfus | 323.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.474 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.79; 424.40] | 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 | -2.74570e+01 | |||
| Coefficient B | 8.80900e-01 | |||
| Coefficient C | -5.63100e-04 | |||
| Coefficient D | 1.34060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 325.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 375.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 394.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059165; 0.0001353] | Pa×s | [339.63; 561.03] |
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 | -1.47029e+01 | |||
| Coefficient B | 3.25124e+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. | 339.63 | |||
| Temperature range, max. | 561.03 | |||
| η | 0.0059165 | Pa×s | 339.63 | Calculated Property |
| η | 0.0030994 | Pa×s | 364.23 | Calculated Property |
| η | 0.0017620 | Pa×s | 388.83 | Calculated Property |
| η | 0.0010714 | Pa×s | 413.43 | Calculated Property |
| η | 0.0006889 | Pa×s | 438.03 | Calculated Property |
| η | 0.0004642 | Pa×s | 462.63 | Calculated Property |
| η | 0.0003256 | Pa×s | 487.23 | Calculated Property |
| η | 0.0002362 | Pa×s | 511.83 | Calculated Property |
| η | 0.0001765 | Pa×s | 536.43 | Calculated Property |
| η | 0.0001353 | Pa×s | 561.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-hydroxy-4-phenyl-2-butanone.
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