Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C17H11ClF4O4/c18-9-3-1-4-11(20)17(9)26-14(24)6-2-5-13(23)25-12-8-7-10(19)15(21)16(12)22/h1,3-4,7-8H,2,5-6H2

InChI Key

BOJCZGLIVUGGEU-UHFFFAOYSA-N

Formula

C17H11ClF4O4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)Oc1ccc(F)c(F)c1F

Molecular Weight¹

390.71

• 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°	-990.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1268.28	kJ/mol	Joback Calculated Property
ΔfusH°	48.01	kJ/mol	Joback Calculated Property
ΔvapH°	80.73	kJ/mol	Joback Calculated Property
log10WS	-6.18		Crippen Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	237.070	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[2354.00; 2354.00]
Inp	2354.00		NIST
Inp	2354.00		NIST
Tboil	853.71	K	Joback Calculated Property
Tc	1064.00	K	Joback Calculated Property
Tfus	573.39	K	Joback Calculated Property
Vc	0.941	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.57; 706.24]	J/mol×K	[853.71; 1064.00]
Cp,gas	659.57	J/mol×K	853.71	Joback Calculated Property
Cp,gas	669.77	J/mol×K	888.76	Joback Calculated Property
Cp,gas	679.00	J/mol×K	923.81	Joback Calculated Property
Cp,gas	687.25	J/mol×K	958.86	Joback Calculated Property
Cp,gas	694.54	J/mol×K	993.90	Joback Calculated Property
Cp,gas	700.87	J/mol×K	1028.95	Joback Calculated Property
Cp,gas	706.24	J/mol×K	1064.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 2,3,4-trifluorophenyl ester.

Sources

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

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