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

InChI

InChI=1S/C23H33BrF2O4/c1-2-3-4-5-6-7-8-9-10-11-14-29-22(27)12-13-23(28)30-17-19-20(25)15-18(24)16-21(19)26/h15-16H,2-14,17H2,1H3

InChI Key

KNCGERQUDQSZGB-UHFFFAOYSA-N

Formula

C23H33BrF2O4

SMILES

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

Molecular Weight¹

491.41

• 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°	-616.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1171.42	kJ/mol	Joback Calculated Property
ΔfusH°	65.22	kJ/mol	Joback Calculated Property
ΔvapH°	94.17	kJ/mol	Joback Calculated Property
log10WS	-8.60		Crippen Calculated Property
logPoct/wat	7.015		Crippen Calculated Property
McVol	347.090	ml/mol	McGowan Calculated Property
Pc	1061.71	kPa	Joback Calculated Property
Inp	[2949.00; 2949.00]
Inp	2949.00		NIST
Inp	2949.00		NIST
Tboil	984.54	K	Joback Calculated Property
Tc	1205.68	K	Joback Calculated Property
Tfus	618.25	K	Joback Calculated Property
Vc	1.361	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1110.23; 1178.18]	J/mol×K	[984.54; 1205.68]
Cp,gas	1110.23	J/mol×K	984.54	Joback Calculated Property
Cp,gas	1124.83	J/mol×K	1021.40	Joback Calculated Property
Cp,gas	1138.07	J/mol×K	1058.25	Joback Calculated Property
Cp,gas	1149.98	J/mol×K	1095.11	Joback Calculated Property
Cp,gas	1160.61	J/mol×K	1131.97	Joback Calculated Property
Cp,gas	1170.00	J/mol×K	1168.82	Joback Calculated Property
Cp,gas	1178.18	J/mol×K	1205.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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