Chemical Properties of Succinic acid, di(4-bromo-2,6-difluorobenzyl) ester

InChI

InChI=1S/C18H12Br2F4O4/c19-9-3-13(21)11(14(22)4-9)7-27-17(25)1-2-18(26)28-8-12-15(23)5-10(20)6-16(12)24/h3-6H,1-2,7-8H2

InChI Key

WMCHLKVIMCBZLZ-UHFFFAOYSA-N

Formula

C18H12Br2F4O4

SMILES

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

Molecular Weight¹

528.09

• 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°	-950.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1231.99	kJ/mol	Joback Calculated Property
ΔfusH°	56.59	kJ/mol	Joback Calculated Property
ΔvapH°	92.10	kJ/mol	Joback Calculated Property
log10WS	-7.93		Crippen Calculated Property
logPoct/wat	5.335		Crippen Calculated Property
McVol	273.920	ml/mol	McGowan Calculated Property
Pc	1851.52	kPa	Joback Calculated Property
Inp	[2787.00; 2787.00]
Inp	2787.00		NIST
Inp	2787.00		NIST
Tboil	976.46	K	Joback Calculated Property
Tc	1204.69	K	Joback Calculated Property
Tfus	686.86	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.90; 783.28]	J/mol×K	[976.46; 1204.69]
Cp,gas	748.90	J/mol×K	976.46	Joback Calculated Property
Cp,gas	757.16	J/mol×K	1014.50	Joback Calculated Property
Cp,gas	764.37	J/mol×K	1052.54	Joback Calculated Property
Cp,gas	770.56	J/mol×K	1090.57	Joback Calculated Property
Cp,gas	775.77	J/mol×K	1128.61	Joback Calculated Property
Cp,gas	780.00	J/mol×K	1166.65	Joback Calculated Property
Cp,gas	783.28	J/mol×K	1204.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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