Chemical Properties of Glutaric acid, 3-chlorophenyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C17H12ClF3O4/c18-10-3-1-4-11(9-10)24-14(22)5-2-6-15(23)25-13-8-7-12(19)16(20)17(13)21/h1,3-4,7-9H,2,5-6H2

InChI Key

CIDURGJEPFTBGM-UHFFFAOYSA-N

Formula

C17H12ClF3O4

SMILES

O=C(CCCC(=O)Oc1ccc(F)c(F)c1F)Oc1cccc(Cl)c1

Molecular Weight¹

372.72

• 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°	-785.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1060.70	kJ/mol	Joback Calculated Property
ΔfusH°	45.32	kJ/mol	Joback Calculated Property
ΔvapH°	80.88	kJ/mol	Joback Calculated Property
log10WS	-5.85		Crippen Calculated Property
logPoct/wat	4.439		Crippen Calculated Property
McVol	235.300	ml/mol	McGowan Calculated Property
Pc	1845.16	kPa	Joback Calculated Property
Inp	[2401.00; 2401.00]
Inp	2401.00		NIST
Inp	2401.00		NIST
Tboil	849.46	K	Joback Calculated Property
Tc	1064.58	K	Joback Calculated Property
Tfus	560.28	K	Joback Calculated Property
Vc	0.922	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.68; 702.61]	J/mol×K	[849.46; 1064.58]
Cp,gas	653.68	J/mol×K	849.46	Joback Calculated Property
Cp,gas	664.35	J/mol×K	885.31	Joback Calculated Property
Cp,gas	674.00	J/mol×K	921.17	Joback Calculated Property
Cp,gas	682.64	J/mol×K	957.02	Joback Calculated Property
Cp,gas	690.28	J/mol×K	992.88	Joback Calculated Property
Cp,gas	696.93	J/mol×K	1028.73	Joback Calculated Property
Cp,gas	702.61	J/mol×K	1064.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2,3,4-trifluorophenyl ester.

Sources

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

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