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

InChI

InChI=1S/C14H15BrF2O4/c1-2-5-20-13(18)3-4-14(19)21-8-10-11(16)6-9(15)7-12(10)17/h6-7H,2-5,8H2,1H3

InChI Key

ZNVLKTGYAPUZAJ-UHFFFAOYSA-N

Formula

C14H15BrF2O4

SMILES

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

Molecular Weight¹

365.17

• 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°	-692.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-985.66	kJ/mol	Joback Calculated Property
ΔfusH°	41.91	kJ/mol	Joback Calculated Property
ΔvapH°	74.13	kJ/mol	Joback Calculated Property
log10WS	-4.83		Crippen Calculated Property
logPoct/wat	3.504		Crippen Calculated Property
McVol	220.280	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[2059.00; 2059.00]
Inp	2059.00		NIST
Inp	2059.00		NIST
Tboil	778.62	K	Joback Calculated Property
Tc	982.21	K	Joback Calculated Property
Tfus	516.82	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.52; 648.51]	J/mol×K	[778.62; 982.21]
Cp,gas	590.52	J/mol×K	778.62	Joback Calculated Property
Cp,gas	602.21	J/mol×K	812.55	Joback Calculated Property
Cp,gas	613.08	J/mol×K	846.48	Joback Calculated Property
Cp,gas	623.14	J/mol×K	880.42	Joback Calculated Property
Cp,gas	632.39	J/mol×K	914.35	Joback Calculated Property
Cp,gas	640.85	J/mol×K	948.28	Joback Calculated Property
Cp,gas	648.51	J/mol×K	982.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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