- InChI
- InChI=1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
- InChI Key
- QGGZBXOADPVUPN-UHFFFAOYSA-N
- Formula
- C15H14O
- SMILES
- O=C(CCc1ccccc1)c1ccccc1
- Molecular Weight1
- 210.28
- Other Names
-
- «omega»-Benzyl acetophenone
- Benzylacetophenone
- Dihydrochalcone
- Hydrochalcone
- Hydrocinnamophenone
- Phenethyl phenyl ketone
- Phenyl phenethyl ketone
- Propiophenone, 3-phenyl-
- 1-Propanone, 1,3-diphenyl-
- 1,3-Diphenyl-1-oxopropane
- 1,3-Diphenyl-1-propanone
- 1,3-Diphenyl-3-propanone
- 2-Phenethyl phenyl ketone
- 3-Phenylpropiophenone
- NSC 12245
- 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 | 0.5428 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 31.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.502 | Crippen Calculated Property | |
| McVol | 176.260 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | [1834.40; 1834.40] |
|
|
| Inp | 1834.40 | NIST | |
| Inp | 1834.40 | NIST | |
| Tboil | 591.37 | K | Relay (1.0) Calculated Property |
| Tc | 854.46 | K | Relay (1.0) Calculated Property |
| Tfus | 313.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.10; 545.16] | 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 | -7.11980e+01 | |||
| Coefficient B | 1.24300e+00 | |||
| Coefficient C | -8.35900e-04 | |||
| Coefficient D | 2.09260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 481.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020973; 0.0001964] | Pa×s | [361.58; 624.06] |
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 | -1.17976e+01 | |||
| Coefficient B | 2.03587e+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. | 361.58 | |||
| Temperature range, max. | 624.06 | |||
| η | 0.0020973 | Pa×s | 361.58 | Calculated Property |
| η | 0.0013777 | Pa×s | 390.74 | Calculated Property |
| η | 0.0009594 | Pa×s | 419.91 | Calculated Property |
| η | 0.0007002 | Pa×s | 449.07 | Calculated Property |
| η | 0.0005311 | Pa×s | 478.24 | Calculated Property |
| η | 0.0004158 | Pa×s | 507.40 | Calculated Property |
| η | 0.0003344 | Pa×s | 536.57 | Calculated Property |
| η | 0.0002749 | Pa×s | 565.73 | Calculated Property |
| η | 0.0002305 | Pa×s | 594.89 | Calculated Property |
| η | 0.0001964 | Pa×s | 624.06 | Calculated Property |
Similar Compounds
Find more compounds similar to BETA-PHENYLPROPIOPHENONE.
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