Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C16H12ClFO2/c17-13-7-4-8-14(18)15(13)20-16(19)12-9-11(12)10-5-2-1-3-6-10/h1-8,11-12H,9H2

InChI Key

XFFAENGOSRSITO-UHFFFAOYSA-N

Formula

C16H12ClFO2

SMILES

O=C(Oc1c(F)cccc1Cl)C1CC1c1ccccc1

Molecular Weight¹

290.72

• 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°	-98.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-327.64	kJ/mol	Joback Calculated Property
ΔfusH°	33.77	kJ/mol	Joback Calculated Property
ΔvapH°	69.41	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	199.370	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[2134.00; 2134.00]
Inp	2134.00		NIST
Inp	2134.00		NIST
Tboil	743.86	K	Joback Calculated Property
Tc	985.43	K	Joback Calculated Property
Tfus	464.33	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.48; 607.77]	J/mol×K	[743.86; 985.43]
Cp,gas	537.48	J/mol×K	743.86	Joback Calculated Property
Cp,gas	551.94	J/mol×K	784.12	Joback Calculated Property
Cp,gas	565.19	J/mol×K	824.38	Joback Calculated Property
Cp,gas	577.32	J/mol×K	864.65	Joback Calculated Property
Cp,gas	588.41	J/mol×K	904.91	Joback Calculated Property
Cp,gas	598.53	J/mol×K	945.17	Joback Calculated Property
Cp,gas	607.77	J/mol×K	985.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-chloro-6-fluorophenyl ester.

Sources

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

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