Chemical Properties of Succinic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester

InChI

InChI=1S/C15H17BrF2O4/c1-9(2)7-21-14(19)3-4-15(20)22-8-11-12(17)5-10(16)6-13(11)18/h5-6,9H,3-4,7-8H2,1-2H3

InChI Key

KJQLLQLCNCAJRB-UHFFFAOYSA-N

Formula

C15H17BrF2O4

SMILES

CC(C)COC(=O)CCC(=O)OCc1c(F)cc(Br)cc1F

Molecular Weight¹

379.19

• 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°	-686.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1011.58	kJ/mol	Joback Calculated Property
ΔfusH°	40.98	kJ/mol	Joback Calculated Property
ΔvapH°	75.97	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	234.370	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2107.00; 2107.00]
Inp	2107.00		NIST
Inp	2107.00		NIST
Tboil	801.06	K	Joback Calculated Property
Tc	1006.12	K	Joback Calculated Property
Tfus	513.09	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.49; 705.68]	J/mol×K	[801.06; 1006.12]
Cp,gas	645.49	J/mol×K	801.06	Joback Calculated Property
Cp,gas	657.73	J/mol×K	835.24	Joback Calculated Property
Cp,gas	669.07	J/mol×K	869.41	Joback Calculated Property
Cp,gas	679.53	J/mol×K	903.59	Joback Calculated Property
Cp,gas	689.11	J/mol×K	937.77	Joback Calculated Property
Cp,gas	697.82	J/mol×K	971.95	Joback Calculated Property
Cp,gas	705.68	J/mol×K	1006.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester.

Sources

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

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