Chemical Properties of Glutaric acid, 3-methylbut-2-yl pentafluorobenzyl ester

InChI

InChI=1S/C17H19F5O4/c1-8(2)9(3)26-12(24)6-4-5-11(23)25-7-10-13(18)15(20)17(22)16(21)14(10)19/h8-9H,4-7H2,1-3H3

InChI Key

KUNTXZQUNGKTQD-UHFFFAOYSA-N

Formula

C17H19F5O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

382.32

• 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°	-1290.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1695.74	kJ/mol	Joback Calculated Property
ΔfusH°	45.81	kJ/mol	Joback Calculated Property
ΔvapH°	72.47	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.183		Crippen Calculated Property
McVol	250.360	ml/mol	McGowan Calculated Property
Pc	1360.63	kPa	Joback Calculated Property
Inp	[1893.00; 1893.00]
Inp	1893.00		NIST
Inp	1893.00		NIST
Tboil	787.99	K	Joback Calculated Property
Tc	972.51	K	Joback Calculated Property
Tfus	487.64	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.23; 806.82]	J/mol×K	[787.99; 972.51]
Cp,gas	740.23	J/mol×K	787.99	Joback Calculated Property
Cp,gas	753.44	J/mol×K	818.74	Joback Calculated Property
Cp,gas	765.82	J/mol×K	849.50	Joback Calculated Property
Cp,gas	777.34	J/mol×K	880.25	Joback Calculated Property
Cp,gas	788.02	J/mol×K	911.01	Joback Calculated Property
Cp,gas	797.84	J/mol×K	941.76	Joback Calculated Property
Cp,gas	806.82	J/mol×K	972.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl pentafluorobenzyl ester.

Sources

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

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