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

InChI

InChI=1S/C13H11BrF4O4/c14-7-10(13(16,17)18)22-12(20)6-5-11(19)21-9-4-2-1-3-8(9)15/h1-4,10H,5-7H2

InChI Key

KKHXVKPYKIDVFL-UHFFFAOYSA-N

Formula

C13H11BrF4O4

SMILES

O=C(CCC(=O)OC(CBr)C(F)(F)F)Oc1ccccc1F

Molecular Weight¹

387.12

• 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°	-1071.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1348.33	kJ/mol	Joback Calculated Property
ΔfusH°	35.32	kJ/mol	Joback Calculated Property
ΔvapH°	67.27	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	3.380		Crippen Calculated Property
McVol	209.730	ml/mol	McGowan Calculated Property
Pc	2179.52	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	740.65	K	Joback Calculated Property
Tc	941.67	K	Joback Calculated Property
Tfus	469.11	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.85; 612.12]	J/mol×K	[740.65; 941.67]
Cp,gas	558.85	J/mol×K	740.65	Joback Calculated Property
Cp,gas	569.67	J/mol×K	774.15	Joback Calculated Property
Cp,gas	579.67	J/mol×K	807.66	Joback Calculated Property
Cp,gas	588.88	J/mol×K	841.16	Joback Calculated Property
Cp,gas	597.34	J/mol×K	874.66	Joback Calculated Property
Cp,gas	605.07	J/mol×K	908.16	Joback Calculated Property
Cp,gas	612.12	J/mol×K	941.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-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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