Chemical Properties of 5-chloro-2-(2-propinyl)benzophenone (CPB)

InChI

InChI=1S/C16H11ClO/c1-2-6-12-9-10-14(17)11-15(12)16(18)13-7-4-3-5-8-13/h1,3-5,7-11H,6H2

InChI Key

XMFRKUFYNHJLKS-UHFFFAOYSA-N

Formula

C16H11ClO

SMILES

C#CCc1ccc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

254.71

• 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°	371.62	kJ/mol	Joback Calculated Property
ΔfH°gas	240.13	kJ/mol	Joback Calculated Property
ΔfusH°	33.27	kJ/mol	Joback Calculated Property
ΔvapH°	68.08	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	193.990	ml/mol	McGowan Calculated Property
Pc	2635.25	kPa	Joback Calculated Property
Inp	[2270.00; 2270.00]
Inp	2270.00		NIST
Inp	2270.00		NIST
Tboil	710.22	K	Joback Calculated Property
Tc	967.48	K	Joback Calculated Property
Tfus	474.78	K	Joback Calculated Property
Vc	0.733	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.58; 535.11]	J/mol×K	[710.22; 967.48]
Cp,gas	468.58	J/mol×K	710.22	Joback Calculated Property
Cp,gas	482.33	J/mol×K	753.10	Joback Calculated Property
Cp,gas	494.89	J/mol×K	795.97	Joback Calculated Property
Cp,gas	506.35	J/mol×K	838.85	Joback Calculated Property
Cp,gas	516.82	J/mol×K	881.73	Joback Calculated Property
Cp,gas	526.37	J/mol×K	924.60	Joback Calculated Property
Cp,gas	535.11	J/mol×K	967.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-chloro-2-(2-propinyl)benzophenone (CPB).

Sources

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

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