Chemical Properties of 4-Chloroacetamidobenzophenone (CAS 13788-59-5)

InChI

InChI=1S/C15H12ClNO2/c1-10(18)17-14-8-7-12(16)9-13(14)15(19)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)

InChI Key

NHAUKYAYIYDFST-UHFFFAOYSA-N

Formula

C15H12ClNO2

SMILES

CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

273.71

CAS

13788-59-5

Other Names

• Benzophenone, 2-acetamino-5-chloro-
• N-(2-Benzoyl-4-chlorophenyl)acetamide
• 2-Amino-5-chlorobenzophenone, acetylated
• Diazepam, M(oxa/epam), acid hydrolyzed, acetylated

• 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°	100.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-90.24	kJ/mol	Joback Calculated Property
ΔfusH°	34.40	kJ/mol	Joback Calculated Property
ΔvapH°	79.17	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.529		Crippen Calculated Property
McVol	200.050	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	801.26	K	Joback Calculated Property
Tc	1048.65	K	Joback Calculated Property
Tfus	519.13	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.68; 581.68]	J/mol×K	[801.26; 1048.65]
Cp,gas	525.68	J/mol×K	801.26	Joback Calculated Property
Cp,gas	537.52	J/mol×K	842.49	Joback Calculated Property
Cp,gas	548.26	J/mol×K	883.72	Joback Calculated Property
Cp,gas	557.97	J/mol×K	924.95	Joback Calculated Property
Cp,gas	566.74	J/mol×K	966.18	Joback Calculated Property
Cp,gas	574.62	J/mol×K	1007.41	Joback Calculated Property
Cp,gas	581.68	J/mol×K	1048.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloroacetamidobenzophenone.

Sources

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

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