Chemical Properties of Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester

InChI

InChI=1S/C17H20F4O4/c1-11(2)9-24-15(22)7-4-8-16(23)25-10-12-13(17(19,20)21)5-3-6-14(12)18/h3,5-6,11H,4,7-10H2,1-2H3

InChI Key

OLQOMDAVMOUSTQ-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

CC(C)COC(=O)CCCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

364.33

• 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°	-1061.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1468.69	kJ/mol	Joback Calculated Property
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	70.40	kJ/mol	Joback Calculated Property
log10WS	-5.04		Crippen Calculated Property
logPoct/wat	4.257		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1467.98	kPa	Joback Calculated Property
Inp	[2164.00; 2164.00]
Inp	2164.00		NIST
Inp	2164.00		NIST
Tboil	770.99	K	Joback Calculated Property
Tc	959.50	K	Joback Calculated Property
Tfus	466.91	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.56; 806.03]	J/mol×K	[770.99; 959.50]
Cp,gas	736.56	J/mol×K	770.99	Joback Calculated Property
Cp,gas	750.32	J/mol×K	802.41	Joback Calculated Property
Cp,gas	763.18	J/mol×K	833.83	Joback Calculated Property
Cp,gas	775.15	J/mol×K	865.24	Joback Calculated Property
Cp,gas	786.27	J/mol×K	896.66	Joback Calculated Property
Cp,gas	796.55	J/mol×K	928.08	Joback Calculated Property
Cp,gas	806.03	J/mol×K	959.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl isobutyl ester.

Sources

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

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