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

InChI

InChI=1S/C16H14ClFO2/c1-2-12(11-7-4-3-5-8-11)16(19)20-15-13(17)9-6-10-14(15)18/h3-10,12H,2H2,1H3

InChI Key

LGRJZYNTXIEPJJ-UHFFFAOYSA-N

Formula

C16H14ClFO2

SMILES

CCC(C(=O)Oc1c(F)cccc1Cl)c1ccccc1

Molecular Weight¹

292.73

• 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°	-153.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.38	kJ/mol	Joback Calculated Property
ΔfusH°	31.04	kJ/mol	Joback Calculated Property
ΔvapH°	69.42	kJ/mol	Joback Calculated Property
log10WS	-5.22		Crippen Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	210.230	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	741.35	K	Joback Calculated Property
Tc	972.78	K	Joback Calculated Property
Tfus	435.63	K	Joback Calculated Property
Vc	0.800	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.96; 619.34]	J/mol×K	[741.35; 972.78]
Cp,gas	550.96	J/mol×K	741.35	Joback Calculated Property
Cp,gas	565.03	J/mol×K	779.92	Joback Calculated Property
Cp,gas	577.97	J/mol×K	818.49	Joback Calculated Property
Cp,gas	589.83	J/mol×K	857.06	Joback Calculated Property
Cp,gas	600.64	J/mol×K	895.63	Joback Calculated Property
Cp,gas	610.46	J/mol×K	934.21	Joback Calculated Property
Cp,gas	619.34	J/mol×K	972.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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