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

InChI

InChI=1S/C21H29BrF2O4/c1-2-3-4-5-6-7-8-9-12-27-20(25)10-11-21(26)28-15-17-18(23)13-16(22)14-19(17)24/h13-14H,2-12,15H2,1H3

InChI Key

FIANPNQJUPVQQK-UHFFFAOYSA-N

Formula

C21H29BrF2O4

SMILES

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

Molecular Weight¹

463.35

• 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°	-633.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1130.14	kJ/mol	Joback Calculated Property
ΔfusH°	60.04	kJ/mol	Joback Calculated Property
ΔvapH°	89.72	kJ/mol	Joback Calculated Property
log10WS	-7.76		Crippen Calculated Property
logPoct/wat	6.235		Crippen Calculated Property
McVol	318.910	ml/mol	McGowan Calculated Property
Pc	1208.15	kPa	Joback Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		NIST
Tboil	938.78	K	Joback Calculated Property
Tc	1150.07	K	Joback Calculated Property
Tfus	595.71	K	Joback Calculated Property
Vc	1.250	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.80; 1056.38]	J/mol×K	[938.78; 1150.07]
Cp,gas	989.80	J/mol×K	938.78	Joback Calculated Property
Cp,gas	1003.78	J/mol×K	973.99	Joback Calculated Property
Cp,gas	1016.57	J/mol×K	1009.21	Joback Calculated Property
Cp,gas	1028.20	J/mol×K	1044.42	Joback Calculated Property
Cp,gas	1038.69	J/mol×K	1079.64	Joback Calculated Property
Cp,gas	1048.07	J/mol×K	1114.85	Joback Calculated Property
Cp,gas	1056.38	J/mol×K	1150.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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