Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C13H10BrClF4O4/c14-6-9(13(17,18)19)22-10(20)4-5-11(21)23-12-7(15)2-1-3-8(12)16/h1-3,9H,4-6H2

InChI Key

PNFSSEMKWPUOHO-UHFFFAOYSA-N

Formula

C13H10BrClF4O4

SMILES

O=C(CCC(=O)OC(CBr)C(F)(F)F)Oc1c(F)cccc1Cl

Molecular Weight¹

421.57

• 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°	-1092.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1375.54	kJ/mol	Joback Calculated Property
ΔfusH°	39.13	kJ/mol	Joback Calculated Property
ΔvapH°	72.31	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.034		Crippen Calculated Property
McVol	221.970	ml/mol	McGowan Calculated Property
Pc	2077.43	kPa	Joback Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tboil	783.06	K	Joback Calculated Property
Tc	988.67	K	Joback Calculated Property
Tfus	511.55	K	Joback Calculated Property
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.29; 626.22]	J/mol×K	[783.06; 988.67]
Cp,gas	579.29	J/mol×K	783.06	Joback Calculated Property
Cp,gas	589.00	J/mol×K	817.33	Joback Calculated Property
Cp,gas	597.91	J/mol×K	851.60	Joback Calculated Property
Cp,gas	606.06	J/mol×K	885.87	Joback Calculated Property
Cp,gas	613.47	J/mol×K	920.14	Joback Calculated Property
Cp,gas	620.18	J/mol×K	954.40	Joback Calculated Property
Cp,gas	626.22	J/mol×K	988.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

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

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