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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-224.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.21	kJ/mol	Joback 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
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
Tfus	386.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.67; 578.49]	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			3.63000e+00
Coefficient B			1.12632e+00
Coefficient C			-7.05480e-04
Coefficient D			1.54020e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.67	J/mol×K	273.00	Calculated Property
Cp,gas	320.62	J/mol×K	353.78	Calculated Property
Cp,gas	372.50	J/mol×K	434.56	Calculated Property
Cp,gas	417.79	J/mol×K	515.33	Calculated Property
Cp,gas	456.98	J/mol×K	596.11	Calculated Property
Cp,gas	490.55	J/mol×K	676.89	Calculated Property
Cp,gas	519.01	J/mol×K	757.67	Calculated Property
Cp,gas	542.82	J/mol×K	838.44	Calculated Property
Cp,gas	562.49	J/mol×K	919.22	Calculated Property
Cp,gas	578.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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