Chemical Properties of Benzophenone, 2-acetamino-2',5-dichloro- (CAS 289504-18-3)

InChI

InChI=1S/C15H11Cl2NO2/c1-9(19)18-14-7-6-10(16)8-12(14)15(20)11-4-2-3-5-13(11)17/h2-8H,1H3,(H,18,19)

InChI Key

UFFQVZHDIPJFDP-UHFFFAOYSA-N

Formula

C15H11Cl2NO2

SMILES

CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl

Molecular Weight¹

308.16

CAS

289504-18-3

Other Names

• Cloxazolam M (delorazepam), hydrolysis, acetylated

• 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	0.7039		Relay (1.0) Calculated Property
ΔfG°	79.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.21	kJ/mol	Joback Calculated Property
ΔvapH°	107.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	4.183		Crippen Calculated Property
McVol	212.290	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[2300.00; 2300.00]
Inp	2300.00		NIST
Inp	2300.00		NIST
Inp	2300.00		NIST
Inp	2300.00		NIST
Tboil	648.60	K	Relay (1.0) Calculated Property
Tc	976.06	K	Relay (1.0) Calculated Property
Tfus	389.23	K	Relay (1.0) Calculated Property
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.22; 593.09]	J/mol×K	[843.67; 1093.63]
Cp,gas	544.22	J/mol×K	843.67	Joback Calculated Property
Cp,gas	554.71	J/mol×K	885.33	Joback Calculated Property
Cp,gas	564.18	J/mol×K	926.99	Joback Calculated Property
Cp,gas	572.68	J/mol×K	968.65	Joback Calculated Property
Cp,gas	580.29	J/mol×K	1010.31	Joback Calculated Property
Cp,gas	587.08	J/mol×K	1051.97	Joback Calculated Property
Cp,gas	593.09	J/mol×K	1093.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 2-acetamino-2',5-dichloro-.

Sources

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

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