Chemical Properties of Succinic acid, butyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C16H19F3O4/c1-2-3-10-22-14(20)8-9-15(21)23-11-12-6-4-5-7-13(12)16(17,18)19/h4-7H,2-3,8-11H2,1H3

InChI Key

PNECDFKTDMXBJV-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

332.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7944		Relay (1.0) Calculated Property
ΔfG°	-862.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1375.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.25	kJ/mol	Joback Calculated Property
ΔvapH°	83.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	3.872		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[1919.00; 1919.00]
Inp	1919.00		NIST
Inp	1919.00		NIST
Tboil	585.84	K	Relay (1.0) Calculated Property
Tc	760.28	K	Relay (1.0) Calculated Property
Tfus	281.23	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.84; 743.68]	J/mol×K	[744.30; 934.97]
Cp,gas	673.84	J/mol×K	744.30	Joback Calculated Property
Cp,gas	687.63	J/mol×K	776.08	Joback Calculated Property
Cp,gas	700.53	J/mol×K	807.86	Joback Calculated Property
Cp,gas	712.55	J/mol×K	839.63	Joback Calculated Property
Cp,gas	723.74	J/mol×K	871.41	Joback Calculated Property
Cp,gas	734.10	J/mol×K	903.19	Joback Calculated Property
Cp,gas	743.68	J/mol×K	934.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, butyl 2-(trifluoromethyl)benzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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