Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C19H24F4O4/c1-4-6-14(11(2)3)27-16(25)8-5-7-15(24)26-10-12-9-13(20)18(22)19(23)17(12)21/h9,11,14H,4-8,10H2,1-3H3

InChI Key

ZABYUAYNEIVWQO-UHFFFAOYSA-N

Formula

C19H24F4O4

SMILES

CCCC(OC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

392.39

• 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°	-1068.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1529.44	kJ/mol	Joback Calculated Property
ΔfusH°	48.30	kJ/mol	Joback Calculated Property
ΔvapH°	77.08	kJ/mol	Joback Calculated Property
log10WS	-6.30		Crippen Calculated Property
logPoct/wat	4.824		Crippen Calculated Property
McVol	276.770	ml/mol	McGowan Calculated Property
Pc	1237.22	kPa	Joback Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	829.50	K	Joback Calculated Property
Tc	1020.08	K	Joback Calculated Property
Tfus	497.07	K	Joback Calculated Property
Vc	1.099	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.73; 919.12]	J/mol×K	[829.50; 1020.08]
Cp,gas	847.73	J/mol×K	829.50	Joback Calculated Property
Cp,gas	862.11	J/mol×K	861.26	Joback Calculated Property
Cp,gas	875.49	J/mol×K	893.03	Joback Calculated Property
Cp,gas	887.87	J/mol×K	924.79	Joback Calculated Property
Cp,gas	899.27	J/mol×K	956.55	Joback Calculated Property
Cp,gas	909.68	J/mol×K	988.32	Joback Calculated Property
Cp,gas	919.12	J/mol×K	1020.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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