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

InChI

InChI=1S/C13H13BrF2O4/c1-2-19-12(17)3-4-13(18)20-7-9-10(15)5-8(14)6-11(9)16/h5-6H,2-4,7H2,1H3

InChI Key

ZWDFVAXBVABPDC-UHFFFAOYSA-N

Formula

C13H13BrF2O4

SMILES

CCOC(=O)CCC(=O)OCc1c(F)cc(Br)cc1F

Molecular Weight¹

351.14

• 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°	-701.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.02	kJ/mol	Joback Calculated Property
ΔfusH°	39.32	kJ/mol	Joback Calculated Property
ΔvapH°	71.91	kJ/mol	Joback Calculated Property
log10WS	-4.41		Crippen Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	206.190	ml/mol	McGowan Calculated Property
Pc	2248.26	kPa	Joback Calculated Property
Inp	[1947.00; 1947.00]
Inp	1947.00		NIST
Inp	1947.00		NIST
Tboil	755.74	K	Joback Calculated Property
Tc	960.90	K	Joback Calculated Property
Tfus	505.55	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.23; 593.08]	J/mol×K	[755.74; 960.90]
Cp,gas	537.23	J/mol×K	755.74	Joback Calculated Property
Cp,gas	548.45	J/mol×K	789.93	Joback Calculated Property
Cp,gas	558.91	J/mol×K	824.13	Joback Calculated Property
Cp,gas	568.60	J/mol×K	858.32	Joback Calculated Property
Cp,gas	577.52	J/mol×K	892.51	Joback Calculated Property
Cp,gas	585.68	J/mol×K	926.70	Joback Calculated Property
Cp,gas	593.08	J/mol×K	960.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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