Chemical Properties of Halazepam, hydrolysis

InChI

InChI=1S/C18H15ClF3NO2/c1-12(24)23(10-9-18(20,21)22)16-8-7-14(19)11-15(16)17(25)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3

InChI Key

JJSNDXZGTNQKCR-UHFFFAOYSA-N

Formula

C18H15ClF3NO2

SMILES

CC(=O)N(CCC(F)(F)F)c1ccc(Cl)cc1C(=O)c1ccccc1

Molecular Weight¹

369.76

• 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	0.7645		Relay (1.0) Calculated Property
ΔfG°	-434.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-858.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
ΔvapH°	103.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.91		Relay (1.0) Calculated Property
logPoct/wat	4.876		Crippen Calculated Property
McVol	247.630	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	658.27	K	Relay (1.0) Calculated Property
Tc	896.89	K	Relay (1.0) Calculated Property
Tfus	344.44	K	Relay (1.0) Calculated Property
Vc	0.869	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.20; 762.41]	J/mol×K	[826.75; 1046.81]
Cp,gas	702.20	J/mol×K	826.75	Joback Calculated Property
Cp,gas	714.40	J/mol×K	863.43	Joback Calculated Property
Cp,gas	725.60	J/mol×K	900.10	Joback Calculated Property
Cp,gas	735.91	J/mol×K	936.78	Joback Calculated Property
Cp,gas	745.42	J/mol×K	973.46	Joback Calculated Property
Cp,gas	754.22	J/mol×K	1010.13	Joback Calculated Property
Cp,gas	762.41	J/mol×K	1046.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Halazepam, hydrolysis.

Sources

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

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