- InChI
- InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
- InChI Key
- QCCDLTOVEPVEJK-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(=O)Cc1ccccc1
- Molecular Weight1
- 134.18
- CAS
- 103-79-7
- Other Names
-
- .alpha.-phenylacetone
- 1-Phenylpropan-2-one
- 1-phenyl-2-propanone
- 1-phenylacetone
- 2-propanone, 1-phenyl-
- 3-phenyl-2-propanone
- Fenproporex-M (desamino-oxo-)
- NSC 9827
- P2P
- acetone, phenyl-
- benzylmethylketon
- methyl benzyl ketone
- phenyl-2-propanone
- phenylacetone
- phenylmethyl methyl ketone
- propanone, phenyl-
- «alpha»-Phenylacetone
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- 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 | 0.4112 | Relay (1.0) Calculated Property | |
| PAff | 842.60 | kJ/mol | NIST |
| BasG | 810.80 | kJ/mol | NIST |
| ΔcH°liquid | [-4818.80; -4808.20] | kJ/mol |
|
| ΔcH°liquid | -4818.80 ± 1.70 | kJ/mol | NIST |
| ΔcH°liquid | -4818.50 ± 1.70 | kJ/mol | NIST |
| ΔcH°liquid | -4808.20 ± 1.20 | kJ/mol | NIST |
| ΔcH°liquid | -4818.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 8.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-94.64; -94.64] | kJ/mol |
|
| ΔfH°gas | -94.64 | kJ/mol | NIST |
| ΔfH°gas | -94.64 | kJ/mol | NIST |
| ΔfH°liquid | [-162.50; -151.90] | kJ/mol |
|
| ΔfH°liquid | -151.90 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | -152.30 | kJ/mol | NIST |
| ΔfH°liquid | -162.50 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.50; 57.70] | kJ/mol |
|
| ΔvapH° | 56.10 | kJ/mol | NIST |
| ΔvapH° | 55.00 | kJ/mol | NIST |
| ΔvapH° | 53.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 57.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 57.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 55.20 | kJ/mol | NIST |
| IE | [8.70; 9.14] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 9.14 ± 0.09 | eV | NIST |
| IE | 8.98 | eV | NIST |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.818 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1124.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1110.30 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1110.30 | NIST | |
| I | [1704.00; 1710.00] |
|
|
| I | 1710.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1710.00 | NIST | |
| Tboil | 489.70 | K | NIST |
| Tc | 708.12 | K | Relay (1.0) Calculated Property |
| Tfus | 257.80 ± 0.40 | K | NIST |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | 999.02 | kg/m3 | 298.15 | Thermodynamics of aromatic polar compound (alkanone, alkanal or alkanoate) + hydrocarbon mixtures |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.07; 354.14] | 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 | -3.18390e+01 | |||
| Coefficient B | 7.51920e-01 | |||
| Coefficient C | -4.78300e-04 | |||
| Coefficient D | 1.12360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 244.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 328.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 342.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 354.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037244; 0.0002602] | Pa×s | [257.80; 493.17] |
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 | -1.11688e+01 | |||
| Coefficient B | 1.43749e+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. | 257.80 | |||
| Temperature range, max. | 493.17 | |||
| η | 0.0037244 | Pa×s | 257.80 | Calculated Property |
| η | 0.0022286 | Pa×s | 283.95 | Calculated Property |
| η | 0.0014542 | Pa×s | 310.10 | Calculated Property |
| η | 0.0010140 | Pa×s | 336.26 | Calculated Property |
| η | 0.0007449 | Pa×s | 362.41 | Calculated Property |
| η | 0.0005703 | Pa×s | 388.56 | Calculated Property |
| η | 0.0004517 | Pa×s | 414.71 | Calculated Property |
| η | 0.0003677 | Pa×s | 440.86 | Calculated Property |
| η | 0.0003063 | Pa×s | 467.01 | Calculated Property |
| η | 0.0002602 | Pa×s | 493.17 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl methyl ketone.
Mixtures
- Benzyl methyl ketone + Decane
- Benzyl methyl ketone + Dodecane
- Benzyl methyl ketone + Tetradecane
- Benzyl methyl ketone + Hexadecane
- Benzyl methyl ketone + Pentane, 2,2,4-trimethyl-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamics of aromatic polar compound (alkanone, alkanal or alkanoate) + hydrocarbon mixtures
- Joback Method
- McGowan Method
- NIST Webbook
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