- InChI
- InChI=1S/C11H14O/c1-3-9(2)11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key
- DGZJLMWKIQOQFA-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CCC(C)C(=O)c1ccccc1
- Molecular Weight1
- 162.23
- Other Names
-
- «alpha»-Methylpropyl phenyl ketone
- 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.
- 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 | 0.4472 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -164.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.915 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | 1262.00 | NIST | |
| Tboil | 500.90 | K | Relay (1.0) Calculated Property |
| Tc | 717.62 | K | Relay (1.0) Calculated Property |
| Tfus | 290.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.514 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.19; 457.86] | 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 | -3.53390e+01 | |||
| Coefficient B | 9.47840e-01 | |||
| Coefficient C | -5.90300e-04 | |||
| Coefficient D | 1.35660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 276.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 457.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042401; 0.0002406] | Pa×s | [275.08; 523.37] |
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 | -1.15110e+01 | |||
| Coefficient B | 1.66363e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 275.08 | |||
| Temperature range, max. | 523.37 | |||
| η | 0.0042401 | Pa×s | 275.08 | Calculated Property |
| η | 0.0024433 | Pa×s | 302.67 | Calculated Property |
| η | 0.0015437 | Pa×s | 330.26 | Calculated Property |
| η | 0.0010469 | Pa×s | 357.84 | Calculated Property |
| η | 0.0007506 | Pa×s | 385.43 | Calculated Property |
| η | 0.0005626 | Pa×s | 413.02 | Calculated Property |
| η | 0.0004372 | Pa×s | 440.61 | Calculated Property |
| η | 0.0003500 | Pa×s | 468.19 | Calculated Property |
| η | 0.0002872 | Pa×s | 495.78 | Calculated Property |
| η | 0.0002406 | Pa×s | 523.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanone, 2-methyl-1-phenyl-.
Sources
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