- InChI
- InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChI Key
- AKGGYBADQZYZPD-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CC(=O)CCc1ccccc1
- Molecular Weight1
- 148.20
- CAS
- 2550-26-7
- Other Names
-
- 1-Phenyl-3-butanone
- 2-Phenylethyl methyl ketone
- 4-Phenylbutan-2-one
- 4-phenyl-2-butanone
- 4-phenyl-2-butanone (benzyl acetone)
- 4-phenylbutanone
- Methyl 2-phenylethyl ketone
- Methyl phenethyl ketone
- Methyl phenylethyl ketone
- NSC 44829
- NSC 813
- Phenethyl methyl ketone
- benzylacetone
- «beta»-Phenylethyl methyl 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4534 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 ± 0.10 | eV | NIST |
| log10WS | -1.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.208 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1199.40; 1251.00] |
|
|
| Inp | 1230.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1199.40 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | Outlier 1251.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Ip | [1837.00; 1882.00] |
|
|
| Ip | 1837.00 | NIST | |
| Ip | 1882.00 | NIST | |
| Ip | 1837.00 | NIST | |
| Ip | 1876.00 | NIST | |
| Ip | 1882.00 | NIST | |
| Ip | 1858.00 | NIST | |
| Ip | 1851.00 | NIST | |
| Tboil | [405.00; 508.20] | K |
|
| Tboil | 508.20 | K | NIST |
| Tboil | 405.00 ± 2.00 | K | NIST |
| Tc | 718.61 | K | Relay (1.0) Calculated Property |
| Tfus | 260.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [984.74; 984.74] | kg/m3 | [298.15; 298.15] |
|
| ρl | 984.74 | kg/m3 | 298.15 | Thermodynamics of aromatic polar compound (alkanone, alkanal or alkanoate) + hydrocarbon mixtures |
| ρl | 984.74 | kg/m3 | 298.15 | Liquid Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [388.00; 388.20] | K | [1.70; 1.70] |
|
| Tboilr | 388.20 | K | 1.70 | NIST |
| Tboilr | 388.00 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.29; 405.73] | 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 | -3.27480e+01 | |||
| Coefficient B | 8.46920e-01 | |||
| Coefficient C | -5.32700e-04 | |||
| Coefficient D | 1.24260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 279.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 334.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 357.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 376.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 392.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 405.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046040; 0.0002623] | Pa×s | [260.15; 506.75] |
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 | -1.12684e+01 | |||
| Coefficient B | 1.53165e+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. | 260.15 | |||
| Temperature range, max. | 506.75 | |||
| η | 0.0046040 | Pa×s | 260.15 | Calculated Property |
| η | 0.0026271 | Pa×s | 287.55 | Calculated Property |
| η | 0.0016528 | Pa×s | 314.95 | Calculated Property |
| η | 0.0011199 | Pa×s | 342.35 | Calculated Property |
| η | 0.0008039 | Pa×s | 369.75 | Calculated Property |
| η | 0.0006041 | Pa×s | 397.15 | Calculated Property |
| η | 0.0004710 | Pa×s | 424.55 | Calculated Property |
| η | 0.0003784 | Pa×s | 451.95 | Calculated Property |
| η | 0.0003118 | Pa×s | 479.35 | Calculated Property |
| η | 0.0002623 | Pa×s | 506.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-phenyl-.
Mixtures
- 2-Butanone, 4-phenyl- + Decane
- 2-Butanone, 4-phenyl- + Carbon dioxide
- 2-Butanone, 4-phenyl- + Dodecane
- 2-Butanone, 4-phenyl- + Tetradecane
- 2-Butanone, 4-phenyl- + Hexadecane
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamics of aromatic polar compound (alkanone, alkanal or alkanoate) + hydrocarbon mixtures
- Liquid Liquid Equilibria for Systems Containing 4-Phenylbutan-2-one or Benzyl Ethanoate and Selected Alkanes
- Limiting Diffusion Coefficients of Ethyl Benzoate, Benzylacetone, and Eugenol in Carbon Dioxide at Supercritical Conditions
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.