Chemical Properties of Succinic acid, 4-bromo-2,6-difluorobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H23BrF2O4/c1-4-5-16(11(2)3)25-18(23)7-6-17(22)24-10-13-14(20)8-12(19)9-15(13)21/h8-9,11,16H,4-7,10H2,1-3H3

InChI Key

BZGOJAFVANSYPP-UHFFFAOYSA-N

Formula

C18H23BrF2O4

SMILES

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

Molecular Weight¹

421.27

• 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°	-663.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.78	kJ/mol	Joback Calculated Property
ΔfusH°	45.22	kJ/mol	Joback Calculated Property
ΔvapH°	82.26	kJ/mol	Joback Calculated Property
log10WS	-6.38		Crippen Calculated Property
logPoct/wat	4.919		Crippen Calculated Property
McVol	276.640	ml/mol	McGowan Calculated Property
Pc	1510.50	kPa	Joback Calculated Property
Inp	[2311.00; 2311.00]
Inp	2311.00		NIST
Inp	2311.00		NIST
Tboil	869.26	K	Joback Calculated Property
Tc	1075.91	K	Joback Calculated Property
Tfus	531.90	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[814.88; 878.90]	J/mol×K	[869.26; 1075.91]
Cp,gas	814.88	J/mol×K	869.26	Joback Calculated Property
Cp,gas	828.14	J/mol×K	903.70	Joback Calculated Property
Cp,gas	840.34	J/mol×K	938.14	Joback Calculated Property
Cp,gas	851.49	J/mol×K	972.58	Joback Calculated Property
Cp,gas	861.63	J/mol×K	1007.02	Joback Calculated Property
Cp,gas	870.76	J/mol×K	1041.47	Joback Calculated Property
Cp,gas	878.90	J/mol×K	1075.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-bromo-2,6-difluorobenzyl 2-methylhex-3-yl ester.

Sources

• 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.