Chemical Properties of 1,4-diphenyl-4-penten-1-one

InChI

InChI=1S/C17H16O/c1-14(15-8-4-2-5-9-15)12-13-17(18)16-10-6-3-7-11-16/h2-11H,1,12-13H2

InChI Key

AQZKTMIDKXGRFQ-UHFFFAOYSA-N

Formula

C17H16O

SMILES

C=C(CCC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

236.31

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.5769		Relay (1.0) Calculated Property
ΔfG°	267.45	kJ/mol	Joback Calculated Property
ΔfH°gas	78.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.88	kJ/mol	Joback Calculated Property
ΔvapH°	97.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.363		Crippen Calculated Property
McVol	200.140	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	615.68	K	Relay (1.0) Calculated Property
Tc	873.99	K	Relay (1.0) Calculated Property
Tfus	356.34	K	Relay (1.0) Calculated Property
Vc	0.725	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.87; 619.56]	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			-7.56980e+01
Coefficient B			1.41290e+00
Coefficient C			-9.69900e-04
Coefficient D			2.52260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.87	J/mol×K	273.00	Calculated Property
Cp,gas	313.93	J/mol×K	353.78	Calculated Property
Cp,gas	375.83	J/mol×K	434.56	Calculated Property
Cp,gas	429.36	J/mol×K	515.33	Calculated Property
Cp,gas	475.33	J/mol×K	596.11	Calculated Property
Cp,gas	514.53	J/mol×K	676.89	Calculated Property
Cp,gas	547.75	J/mol×K	757.67	Calculated Property
Cp,gas	575.80	J/mol×K	838.44	Calculated Property
Cp,gas	599.47	J/mol×K	919.22	Calculated Property
Cp,gas	619.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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