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

InChI

InChI=1S/C17H21BrF2O4/c1-2-3-4-5-8-23-16(21)6-7-17(22)24-11-13-14(19)9-12(18)10-15(13)20/h9-10H,2-8,11H2,1H3

InChI Key

NBBGSANNSIPBDC-UHFFFAOYSA-N

Formula

C17H21BrF2O4

SMILES

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

Molecular Weight¹

407.25

• 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°	-667.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1047.58	kJ/mol	Joback Calculated Property
ΔfusH°	49.68	kJ/mol	Joback Calculated Property
ΔvapH°	80.81	kJ/mol	Joback Calculated Property
log10WS	-6.09		Crippen Calculated Property
logPoct/wat	4.674		Crippen Calculated Property
McVol	262.550	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	847.26	K	Joback Calculated Property
Tc	1049.75	K	Joback Calculated Property
Tfus	550.63	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.62; 819.32]	J/mol×K	[847.26; 1049.75]
Cp,gas	756.62	J/mol×K	847.26	Joback Calculated Property
Cp,gas	769.41	J/mol×K	881.01	Joback Calculated Property
Cp,gas	781.24	J/mol×K	914.76	Joback Calculated Property
Cp,gas	792.14	J/mol×K	948.51	Joback Calculated Property
Cp,gas	802.10	J/mol×K	982.26	Joback Calculated Property
Cp,gas	811.16	J/mol×K	1016.00	Joback Calculated Property
Cp,gas	819.32	J/mol×K	1049.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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