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

InChI

InChI=1S/C13H11ClF4O4/c1-7(13(16,17)18)21-10(19)5-6-11(20)22-12-8(14)3-2-4-9(12)15/h2-4,7H,5-6H2,1H3

InChI Key

TYKLXAZAHIYTFJ-UHFFFAOYSA-N

Formula

C13H11ClF4O4

SMILES

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

Molecular Weight¹

342.67

• 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°	-1106.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1401.87	kJ/mol	Joback Calculated Property
ΔfusH°	33.84	kJ/mol	Joback Calculated Property
ΔvapH°	65.88	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.659		Crippen Calculated Property
McVol	204.470	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	716.90	K	Joback Calculated Property
Tc	912.08	K	Joback Calculated Property
Tfus	451.75	K	Joback Calculated Property
Vc	0.807	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.76; 602.30]	J/mol×K	[716.90; 912.08]
Cp,gas	546.76	J/mol×K	716.90	Joback Calculated Property
Cp,gas	557.91	J/mol×K	749.43	Joback Calculated Property
Cp,gas	568.27	J/mol×K	781.96	Joback Calculated Property
Cp,gas	577.88	J/mol×K	814.49	Joback Calculated Property
Cp,gas	586.74	J/mol×K	847.02	Joback Calculated Property
Cp,gas	594.87	J/mol×K	879.55	Joback Calculated Property
Cp,gas	602.30	J/mol×K	912.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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