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

InChI

InChI=1S/C15H17BrF2O4/c1-2-3-6-21-14(19)4-5-15(20)22-9-11-12(17)7-10(16)8-13(11)18/h7-8H,2-6,9H2,1H3

InChI Key

VXVCSVKUOJUFAG-UHFFFAOYSA-N

Formula

C15H17BrF2O4

SMILES

CCCCOC(=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°	-684.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1006.30	kJ/mol	Joback Calculated Property
ΔfusH°	44.50	kJ/mol	Joback Calculated Property
ΔvapH°	76.36	kJ/mol	Joback Calculated Property
log10WS	-5.25		Crippen Calculated Property
logPoct/wat	3.894		Crippen Calculated Property
McVol	234.370	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[2154.00; 2154.00]
Inp	2154.00		NIST
Inp	2154.00		NIST
Tboil	801.50	K	Joback Calculated Property
Tc	1004.10	K	Joback Calculated Property
Tfus	528.09	K	Joback Calculated Property
Vc	0.913	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.91; 704.71]	J/mol×K	[801.50; 1004.10]
Cp,gas	644.91	J/mol×K	801.50	Joback Calculated Property
Cp,gas	657.00	J/mol×K	835.27	Joback Calculated Property
Cp,gas	668.23	J/mol×K	869.03	Joback Calculated Property
Cp,gas	678.61	J/mol×K	902.80	Joback Calculated Property
Cp,gas	688.14	J/mol×K	936.57	Joback Calculated Property
Cp,gas	696.84	J/mol×K	970.33	Joback Calculated Property
Cp,gas	704.71	J/mol×K	1004.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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