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

InChI

InChI=1S/C15H17BrF2O4/c1-9(2)7-21-14(19)3-4-15(20)22-8-11-12(17)5-10(16)6-13(11)18/h5-6,9H,3-4,7-8H2,1-2H3

InChI Key

KJQLLQLCNCAJRB-UHFFFAOYSA-N

Formula

C15H17BrF2O4

SMILES

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

Molecular Weight¹

379.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1058.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.98	kJ/mol	Joback Calculated Property
ΔvapH°	88.53	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	234.370	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2107.00; 2107.00]
Inp	2107.00		NIST
Inp	2107.00		NIST
Tboil	612.23	K	Relay (1.0) Calculated Property
Tc	799.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.49; 705.68]	J/mol×K	[801.06; 1006.12]
Cp,gas	645.49	J/mol×K	801.06	Joback Calculated Property
Cp,gas	657.73	J/mol×K	835.24	Joback Calculated Property
Cp,gas	669.07	J/mol×K	869.41	Joback Calculated Property
Cp,gas	679.53	J/mol×K	903.59	Joback Calculated Property
Cp,gas	689.11	J/mol×K	937.77	Joback Calculated Property
Cp,gas	697.82	J/mol×K	971.95	Joback Calculated Property
Cp,gas	705.68	J/mol×K	1006.12	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.