Chemical Properties of Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester

InChI

InChI=1S/C16H19BrF2O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-12-13(18)6-11(17)7-14(12)19/h6-7,10H,3-5,8-9H2,1-2H3

InChI Key

FBWSLBSCKKSTTF-UHFFFAOYSA-N

Formula

C16H19BrF2O4

SMILES

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

Molecular Weight¹

393.22

• 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°	-678.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1032.22	kJ/mol	Joback Calculated Property
ΔfusH°	43.57	kJ/mol	Joback Calculated Property
ΔvapH°	78.20	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	4.140		Crippen Calculated Property
McVol	248.460	ml/mol	McGowan Calculated Property
Pc	1752.14	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	823.94	K	Joback Calculated Property
Tc	1028.31	K	Joback Calculated Property
Tfus	524.36	K	Joback Calculated Property
Vc	0.964	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.87; 762.52]	J/mol×K	[823.94; 1028.31]
Cp,gas	700.87	J/mol×K	823.94	Joback Calculated Property
Cp,gas	713.45	J/mol×K	858.00	Joback Calculated Property
Cp,gas	725.09	J/mol×K	892.06	Joback Calculated Property
Cp,gas	735.81	J/mol×K	926.13	Joback Calculated Property
Cp,gas	745.61	J/mol×K	960.19	Joback Calculated Property
Cp,gas	754.51	J/mol×K	994.25	Joback Calculated Property
Cp,gas	762.52	J/mol×K	1028.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester.

Sources

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

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