Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4-dichloronaphth-1-yl ester

InChI

InChI=1S/C18H8Cl2F4O2/c19-13-8-14(20)16(11-4-2-1-3-10(11)13)26-17(25)9-5-6-12(15(21)7-9)18(22,23)24/h1-8H

InChI Key

NTZPMSQPTUBHLA-UHFFFAOYSA-N

Formula

C18H8Cl2F4O2

SMILES

O=C(Oc1c(Cl)cc(Cl)c2ccccc12)c1ccc(C(F)(F)F)c(F)c1

Molecular Weight¹

403.15

• 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°	-650.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.54	kJ/mol	Joback Calculated Property
ΔfusH°	41.62	kJ/mol	Joback Calculated Property
ΔvapH°	78.53	kJ/mol	Joback Calculated Property
log10WS	-8.17		Crippen Calculated Property
logPoct/wat	6.524		Crippen Calculated Property
McVol	236.500	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback Calculated Property
Inp	[2453.00; 2453.00]
Inp	2453.00		NIST
Inp	2453.00		NIST
Tboil	853.48	K	Joback Calculated Property
Tc	1085.89	K	Joback Calculated Property
Tfus	577.54	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.74; 673.97]	J/mol×K	[853.48; 1085.89]
Cp,gas	625.74	J/mol×K	853.48	Joback Calculated Property
Cp,gas	635.53	J/mol×K	892.22	Joback Calculated Property
Cp,gas	644.51	J/mol×K	930.95	Joback Calculated Property
Cp,gas	652.75	J/mol×K	969.69	Joback Calculated Property
Cp,gas	660.34	J/mol×K	1008.42	Joback Calculated Property
Cp,gas	667.39	J/mol×K	1047.16	Joback Calculated Property
Cp,gas	673.97	J/mol×K	1085.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2,4-dichloronaphth-1-yl ester.

Sources

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

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