Chemical Properties of 1,3-Diphenyl-2,3-epoxy-1-propanone (CAS 5411-12-1)

InChI

InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H

InChI Key

UQGMJZQVDNZRKT-UHFFFAOYSA-N

Formula

C15H12O2

SMILES

O=C(c1ccccc1)C1OC1c1ccccc1

Molecular Weight¹

224.25

CAS

5411-12-1

Other Names

• Chalcone trans-«alpha»,«beta»-epoxide
• Chalcone-«alpha»,«beta»-epoxide
• Methanone, phenyl(3-phenyloxiranyl)-
• phenyl (3-phenyloxiranyl) ketone

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.28; 551.08]	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			-9.81800e+01
Coefficient B			1.36440e+00
Coefficient C			-9.86800e-04
Coefficient D			2.71660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.28	J/mol×K	273.00	Calculated Property
Cp,gas	273.04	J/mol×K	353.78	Calculated Property
Cp,gas	330.67	J/mol×K	434.56	Calculated Property
Cp,gas	380.06	J/mol×K	515.33	Calculated Property
Cp,gas	422.04	J/mol×K	596.11	Calculated Property
Cp,gas	457.49	J/mol×K	676.89	Calculated Property
Cp,gas	487.26	J/mol×K	757.67	Calculated Property
Cp,gas	512.21	J/mol×K	838.44	Calculated Property
Cp,gas	533.19	J/mol×K	919.22	Calculated Property
Cp,gas	551.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023451; 0.0005568]	Pa×s	[401.85; 653.84]	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			-9.78620e+00
Coefficient B			1.49921e+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.			401.85
Temperature range, max.			653.84
η	0.0023451	Pa×s	401.85	Calculated Property
η	0.0018392	Pa×s	429.85	Calculated Property
η	0.0014859	Pa×s	457.85	Calculated Property
η	0.0012304	Pa×s	485.85	Calculated Property
η	0.0010400	Pa×s	513.85	Calculated Property
η	0.0008944	Pa×s	541.85	Calculated Property
η	0.0007807	Pa×s	569.85	Calculated Property
η	0.0006902	Pa×s	597.84	Calculated Property
η	0.0006170	Pa×s	625.84	Calculated Property
η	0.0005568	Pa×s	653.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diphenyl-2,3-epoxy-1-propanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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