Chemical Properties of «beta»-Phenylpropiolophenone (CAS 7338-94-5)

InChI

InChI=1S/C15H10O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H

InChI Key

YECVQOULKHBGEN-UHFFFAOYSA-N

Formula

C15H10O

SMILES

O=C(C#Cc1ccccc1)c1ccccc1

Molecular Weight¹

206.24

CAS

7338-94-5

Other Names

• Benzoylphenylacetylene
• Diphenylpropynone
• Phenethynyl phenyl ketone
• Phenyl phenylethynyl ketone
• Phenylbenzoylacetylene
• Propiolophenone, 3-phenyl-
• 1-Benzoyl-2-phenylacetylene
• 1,3-Diphenylpropynone
• 2-Propyn-1-one, 1,3-diphenyl-
• 3-Phenylpropiolophenone
• Phenylethynyl phenyl ketone

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid 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

Property	Value	Unit	Source
ω	0.4394		Relay (1.0) Calculated Property
ΔcH°liquid	-7486.80	kJ/mol	NIST
ΔfG°	374.12	kJ/mol	Joback Calculated Property
ΔfH°gas	272.43	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-114.00; 155.00]	kJ/mol
ΔfH°liquid	155.00 ± 6.00	kJ/mol	NIST
ΔfH°liquid	-114.00	kJ/mol	NIST
ΔfusH°	27.41	kJ/mol	Joback Calculated Property
ΔvapH°	85.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	2.921		Crippen Calculated Property
McVol	167.660	ml/mol	McGowan Calculated Property
Pc	3181.14	kPa	Joback Calculated Property
Tboil	586.13	K	Relay (1.0) Calculated Property
Tc	860.50	K	Relay (1.0) Calculated Property
Tfus	351.53	K	Relay (1.0) Calculated Property
Vc	0.600	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.20; 484.04]	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			-5.36400e+01
Coefficient B			1.09320e+00
Coefficient C			-7.43760e-04
Coefficient D			1.88240e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.20	J/mol×K	273.00	Calculated Property
Cp,gas	248.36	J/mol×K	353.78	Calculated Property
Cp,gas	296.41	J/mol×K	434.56	Calculated Property
Cp,gas	337.97	J/mol×K	515.33	Calculated Property
Cp,gas	373.61	J/mol×K	596.11	Calculated Property
Cp,gas	403.94	J/mol×K	676.89	Calculated Property
Cp,gas	429.55	J/mol×K	757.67	Calculated Property
Cp,gas	451.04	J/mol×K	838.44	Calculated Property
Cp,gas	469.01	J/mol×K	919.22	Calculated Property
Cp,gas	484.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Phenylpropiolophenone.

Sources

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

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