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

InChI

InChI=1S/C16H19BrF2O4/c1-2-3-7-22-15(20)5-4-6-16(21)23-10-12-13(18)8-11(17)9-14(12)19/h8-9H,2-7,10H2,1H3

InChI Key

FCFPFGUIAFVVKC-UHFFFAOYSA-N

Formula

C16H19BrF2O4

SMILES

CCCCOC(=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°	-675.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.94	kJ/mol	Joback Calculated Property
ΔfusH°	47.09	kJ/mol	Joback Calculated Property
ΔvapH°	78.58	kJ/mol	Joback Calculated Property
log10WS	-5.67		Crippen Calculated Property
logPoct/wat	4.284		Crippen Calculated Property
McVol	248.460	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	824.38	K	Joback Calculated Property
Tc	1026.60	K	Joback Calculated Property
Tfus	539.36	K	Joback Calculated Property
Vc	0.970	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.30; 761.66]	J/mol×K	[824.38; 1026.60]
Cp,gas	700.30	J/mol×K	824.38	Joback Calculated Property
Cp,gas	712.75	J/mol×K	858.08	Joback Calculated Property
Cp,gas	724.30	J/mol×K	891.79	Joback Calculated Property
Cp,gas	734.96	J/mol×K	925.49	Joback Calculated Property
Cp,gas	744.73	J/mol×K	959.19	Joback Calculated Property
Cp,gas	753.62	J/mol×K	992.89	Joback Calculated Property
Cp,gas	761.66	J/mol×K	1026.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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