Chemical Properties of Succinic acid, isobutyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C16H19F3O4/c1-11(2)10-22-13(20)8-9-14(21)23-15(16(17,18)19)12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3

InChI Key

WZEDVLPXWVLITH-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CC(C)COC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

332.31

• 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°	-858.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1234.28	kJ/mol	Joback Calculated Property
ΔfusH°	31.59	kJ/mol	Joback Calculated Property
ΔvapH°	67.27	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.813		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1692.12	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	738.44	K	Joback Calculated Property
Tc	933.27	K	Joback Calculated Property
Tfus	415.01	K	Joback Calculated Property
Vc	0.902	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.77; 747.55]	J/mol×K	[738.44; 933.27]
Cp,gas	675.77	J/mol×K	738.44	Joback Calculated Property
Cp,gas	690.07	J/mol×K	770.91	Joback Calculated Property
Cp,gas	703.39	J/mol×K	803.38	Joback Calculated Property
Cp,gas	715.77	J/mol×K	835.86	Joback Calculated Property
Cp,gas	727.23	J/mol×K	868.33	Joback Calculated Property
Cp,gas	737.81	J/mol×K	900.80	Joback Calculated Property
Cp,gas	747.55	J/mol×K	933.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, isobutyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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