Chemical Properties of 5-Chloro-2'-fluoro-2-hydroxyethyaminobenzophenone (CAS 35231-38-0)

InChI

InChI=1S/C15H13ClFNO2/c16-10-5-6-14(18-7-8-19)12(9-10)15(20)11-3-1-2-4-13(11)17/h1-6,9,18-19H,7-8H2

InChI Key

CKDXNSUKTLFLRM-UHFFFAOYSA-N

Formula

C15H13ClFNO2

SMILES

O=C(c1ccccc1F)c1cc(Cl)ccc1NCCO

Molecular Weight¹

293.72

CAS

35231-38-0

Other Names

• 2-Hydroxyethylamino-5-chlor-2'-fluor-benzophenone

• 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°	-111.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.47	kJ/mol	Joback Calculated Property
ΔfusH°	39.58	kJ/mol	Joback Calculated Property
ΔvapH°	88.95	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	206.120	ml/mol	McGowan Calculated Property
Pc	2616.41	kPa	Joback Calculated Property
Inp	[2500.00; 2500.00]
Inp	2500.00		NIST
Inp	2500.00		NIST
Tboil	843.82	K	Joback Calculated Property
Tc	1063.39	K	Joback Calculated Property
Tfus	543.13	K	Joback Calculated Property
Vc	0.786	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.07; 618.72]	J/mol×K	[843.82; 1063.39]
Cp,gas	569.07	J/mol×K	843.82	Joback Calculated Property
Cp,gas	579.21	J/mol×K	880.41	Joback Calculated Property
Cp,gas	588.54	J/mol×K	917.01	Joback Calculated Property
Cp,gas	597.10	J/mol×K	953.60	Joback Calculated Property
Cp,gas	604.95	J/mol×K	990.20	Joback Calculated Property
Cp,gas	612.14	J/mol×K	1026.79	Joback Calculated Property
Cp,gas	618.72	J/mol×K	1063.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Chloro-2'-fluoro-2-hydroxyethyaminobenzophenone.

Sources

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

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