Chemical Properties of 2,4-diphenyl-1-buten-4-one

InChI

InChI=1S/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11H,1,12H2

InChI Key

IARGMAYLOFUHTE-UHFFFAOYSA-N

Formula

C16H14O

SMILES

C=C(CC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

222.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	259.03	kJ/mol	Joback Calculated Property
ΔfH°gas	102.55	kJ/mol	Joback Calculated Property
ΔfusH°	24.29	kJ/mol	Joback Calculated Property
ΔvapH°	61.92	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	3.973		Crippen Calculated Property
McVol	186.050	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1887.20; 1887.20]
Inp	1887.20		NIST
Inp	1887.20		NIST
Tboil	669.27	K	Joback Calculated Property
Tc	914.88	K	Joback Calculated Property
Tfus	357.13	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.22; 548.71]	J/mol×K	[669.27; 914.88]
Cp,gas	469.22	J/mol×K	669.27	Joback Calculated Property
Cp,gas	485.52	J/mol×K	710.20	Joback Calculated Property
Cp,gas	500.47	J/mol×K	751.14	Joback Calculated Property
Cp,gas	514.16	J/mol×K	792.07	Joback Calculated Property
Cp,gas	526.70	J/mol×K	833.01	Joback Calculated Property
Cp,gas	538.18	J/mol×K	873.94	Joback Calculated Property
Cp,gas	548.71	J/mol×K	914.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-diphenyl-1-buten-4-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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