Chemical Properties of Succinic acid, 3-methylbut-2-yl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C15H17F3O4/c1-8(2)9(3)21-12(19)6-7-13(20)22-11-5-4-10(16)14(17)15(11)18/h4-5,8-9H,6-7H2,1-3H3

InChI Key

FSWPIRQTEYQCJC-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

318.29

• 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°	-898.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1239.30	kJ/mol	Joback Calculated Property
ΔfusH°	35.25	kJ/mol	Joback Calculated Property
ΔvapH°	68.33	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.377		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[1799.00; 1799.00]
Inp	1799.00		NIST
Inp	1799.00		NIST
Tboil	733.73	K	Joback Calculated Property
Tc	924.83	K	Joback Calculated Property
Tfus	438.88	K	Joback Calculated Property
Vc	0.858	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[616.37; 684.23]	J/mol×K	[733.73; 924.83]
Cp,gas	616.37	J/mol×K	733.73	Joback Calculated Property
Cp,gas	629.73	J/mol×K	765.58	Joback Calculated Property
Cp,gas	642.26	J/mol×K	797.43	Joback Calculated Property
Cp,gas	653.98	J/mol×K	829.28	Joback Calculated Property
Cp,gas	664.88	J/mol×K	861.13	Joback Calculated Property
Cp,gas	674.96	J/mol×K	892.98	Joback Calculated Property
Cp,gas	684.23	J/mol×K	924.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2,3,4-trifluorophenyl ester.

Sources

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

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