Chemical Properties of Succinic acid, 3,4-difluorobenzyl isobutyl ester

InChI

InChI=1S/C15H18F2O4/c1-10(2)8-20-14(18)5-6-15(19)21-9-11-3-4-12(16)13(17)7-11/h3-4,7,10H,5-6,8-9H2,1-2H3

InChI Key

LKCQCAYLURSECG-UHFFFAOYSA-N

Formula

C15H18F2O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

300.30

• 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°	-691.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.44	kJ/mol	Joback Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	68.87	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	2.987		Crippen Calculated Property
McVol	216.870	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[1880.00; 1880.00]
Inp	1880.00		NIST
Inp	1880.00		NIST
Tboil	729.92	K	Joback Calculated Property
Tc	923.67	K	Joback Calculated Property
Tfus	440.77	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.93; 678.92]	J/mol×K	[729.92; 923.67]
Cp,gas	608.93	J/mol×K	729.92	Joback Calculated Property
Cp,gas	622.70	J/mol×K	762.21	Joback Calculated Property
Cp,gas	635.61	J/mol×K	794.50	Joback Calculated Property
Cp,gas	647.69	J/mol×K	826.80	Joback Calculated Property
Cp,gas	658.93	J/mol×K	859.09	Joback Calculated Property
Cp,gas	669.34	J/mol×K	891.38	Joback Calculated Property
Cp,gas	678.92	J/mol×K	923.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4-difluorobenzyl isobutyl ester.

Sources

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

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