Chemical Properties of Glutaric acid, butyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C16H19F3O4/c1-2-3-7-22-15(20)5-4-6-16(21)23-10-11-8-13(18)14(19)9-12(11)17/h8-9H,2-7,10H2,1H3

InChI Key

BASJOATUIDTZOL-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

332.31

• 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°	-884.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1249.38	kJ/mol	Joback Calculated Property
ΔfusH°	44.88	kJ/mol	Joback Calculated Property
ΔvapH°	71.33	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	3.661		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[2252.00; 2252.00]
Inp	2252.00		NIST
Inp	2252.00		NIST
Tboil	757.49	K	Joback Calculated Property
Tc	943.91	K	Joback Calculated Property
Tfus	480.15	K	Joback Calculated Property
Vc	0.925	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.92; 738.42]	J/mol×K	[757.49; 943.91]
Cp,gas	669.92	J/mol×K	757.49	Joback Calculated Property
Cp,gas	683.36	J/mol×K	788.56	Joback Calculated Property
Cp,gas	695.99	J/mol×K	819.63	Joback Calculated Property
Cp,gas	707.80	J/mol×K	850.70	Joback Calculated Property
Cp,gas	718.81	J/mol×K	881.77	Joback Calculated Property
Cp,gas	729.02	J/mol×K	912.84	Joback Calculated Property
Cp,gas	738.42	J/mol×K	943.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 2,4,5-trifluorobenzyl ester.

Sources

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

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