Chemical Properties of Glutaric acid, di(2,3,4-trifluorophenyl) ester

InChI

InChI=1S/C17H10F6O4/c18-8-4-6-10(16(22)14(8)20)26-12(24)2-1-3-13(25)27-11-7-5-9(19)15(21)17(11)23/h4-7H,1-3H2

InChI Key

NSLHQXKZMQJVCL-UHFFFAOYSA-N

Formula

C17H10F6O4

SMILES

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

Molecular Weight¹

392.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8877		Relay (1.0) Calculated Property
ΔfG°	-1377.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1518.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.59	kJ/mol	Joback Calculated Property
ΔvapH°	97.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	4.203		Crippen Calculated Property
McVol	228.370	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[2188.00; 2188.00]
Inp	2188.00		NIST
Inp	2188.00		NIST
Tboil	602.54	K	Relay (1.0) Calculated Property
Tc	829.50	K	Relay (1.0) Calculated Property
Tfus	351.51	K	Relay (1.0) Calculated Property
Vc	0.852	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.56; 701.57]	J/mol×K	[819.80; 1016.72]
Cp,gas	651.56	J/mol×K	819.80	Joback Calculated Property
Cp,gas	662.07	J/mol×K	852.62	Joback Calculated Property
Cp,gas	671.71	J/mol×K	885.44	Joback Calculated Property
Cp,gas	680.48	J/mol×K	918.26	Joback Calculated Property
Cp,gas	688.38	J/mol×K	951.08	Joback Calculated Property
Cp,gas	695.41	J/mol×K	983.90	Joback Calculated Property
Cp,gas	701.57	J/mol×K	1016.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2,3,4-trifluorophenyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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