- InChI
- InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
- InChI Key
- DQFBYFPFKXHELB-UHFFFAOYSA-N
- Formula
- C15H12O
- SMILES
- O=C(C=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 208.26
- CAS
- 94-41-7
- Other Names
-
- 2-Propen-1-one, 1,3-diphenyl-
- «alpha»-Benzylideneacetophenone
- «beta»-Benzoylstyrene
- «beta»-Phenylacrylophenone
- Benzalacetophenone
- Benzylideneacetophenone
- Benzylidenacetophenone
- Chalkone
- Cinnamophenone
- Phenyl styryl ketone
- 1-Phenyl-2-benzoylethylene
- 1,3-Diphenyl-1-propen-3-one
- 2-Benzalacetophenone
- 2-Benzylideneacetophenone
- 3-Phenylacrylophenone
- 1,3-Diphenyl-2-propen-1-one
- Acrylophenone, 3-phenyl-
- 1-Benzoyl-2-phenylethene
- 1,3-Diphenylpropenone
- Phenyl 2-phenylvinyl ketone
- Styryl phenyl ketone
- 1-Benzoyl-2-phenylethylene
- «omega»-Benzylideneacetophenone
- 1,3-Diphenyl-2-propenone
- NSC 26612
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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°solid : Solid 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).
- 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 | 0.4831 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7626.20 | kJ/mol | NIST |
| ΔfG° | 251.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 113.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -24.00 | kJ/mol | NIST |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.583 | Crippen Calculated Property | |
| McVol | 171.960 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1970.60; 1970.60] |
|
|
| Inp | 1970.60 | NIST | |
| Inp | 1970.60 | NIST | |
| Tboil | 605.08 | K | Relay (1.0) Calculated Property |
| Tc | 869.98 | K | Relay (1.0) Calculated Property |
| Tfus | 329.00 ± 4.00 | K | NIST |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.10; 514.58] | 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 | -8.53800e+01 | |||
| Coefficient B | 1.26300e+00 | |||
| Coefficient C | -9.19700e-04 | |||
| Coefficient D | 2.56660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 310.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 427.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 455.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 478.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 497.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 514.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030968; 0.0001631] | Pa×s | [329.00; 634.36] |
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 | -1.18932e+01 | |||
| Coefficient B | 2.01211e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 329.00 | |||
| Temperature range, max. | 634.36 | |||
| η | 0.0030968 | Pa×s | 329.00 | Calculated Property |
| η | 0.0017483 | Pa×s | 362.93 | Calculated Property |
| η | 0.0010883 | Pa×s | 396.86 | Calculated Property |
| η | 0.0007300 | Pa×s | 430.79 | Calculated Property |
| η | 0.0005191 | Pa×s | 464.72 | Calculated Property |
| η | 0.0003866 | Pa×s | 498.65 | Calculated Property |
| η | 0.0002990 | Pa×s | 532.57 | Calculated Property |
| η | 0.0002384 | Pa×s | 566.50 | Calculated Property |
| η | 0.0001951 | Pa×s | 600.43 | Calculated Property |
| η | 0.0001631 | Pa×s | 634.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Chalcone.
Sources
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