Chemical Properties of proclonol, TFA

InChI

InChI=1S/C18H13Cl2F3O2/c19-14-7-3-12(4-8-14)17(11-1-2-11,25-16(24)18(21,22)23)13-5-9-15(20)10-6-13/h3-11H,1-2H2

InChI Key

RJHYOGGOZYGMJT-UHFFFAOYSA-N

Formula

C18H13Cl2F3O2

SMILES

O=C(OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CC1)C(F)(F)F

Molecular Weight¹

389.20

• 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	0.6135		Relay (... Calculated Property
ΔfG°	-469.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-795.92	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.41	kJ/mol	Joback Calculated Property
ΔvapH°	99.77	kJ/mol	Relay (... Calculated Property
IE	9.01	eV	Relay (... Calculated Property
log10WS	-5.92		Relay (... Calculated Property
logPoct/wat	5.753		Crippen Calculated Property
McVol	243.330	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[2187.00; 2195.00]
Inp	2195.00		NIST
Inp	2187.00		NIST
Inp	2195.00		NIST
Inp	2187.00		NIST
Tboil	617.04	K	Relay (... Calculated Property
Tc	854.19	K	Relay (... Calculated Property
Tfus	341.09	K	Relay (... Calculated Property
Vc	0.857	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.08; 747.23]	J/mol×K	[823.80; 1063.27]
Cp,gas	684.08	J/mol×K	823.80	Joback Calculated Property
Cp,gas	696.65	J/mol×K	863.71	Joback Calculated Property
Cp,gas	708.20	J/mol×K	903.62	Joback Calculated Property
Cp,gas	718.87	J/mol×K	943.53	Joback Calculated Property
Cp,gas	728.82	J/mol×K	983.45	Joback Calculated Property
Cp,gas	738.22	J/mol×K	1023.36	Joback Calculated Property
Cp,gas	747.23	J/mol×K	1063.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to proclonol, TFA.

Sources

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

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