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

InChI

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

InChI Key

IJWPJOGNQNZHEK-UHFFFAOYSA-N

Formula

C16H19F3O4

SMILES

CCCCOC(=O)CCC(=O)OC(c1ccccc1)C(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	0.7366		Relay (1.0) Calculated Property
ΔfG°	-855.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1404.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.11	kJ/mol	Joback Calculated Property
ΔvapH°	84.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	3.957		Crippen Calculated Property
McVol	232.730	ml/mol	McGowan Calculated Property
Pc	1681.03	kPa	Joback Calculated Property
Inp	[1800.00; 1800.00]
Inp	1800.00		NIST
Inp	1800.00		NIST
Tboil	566.14	K	Relay (1.0) Calculated Property
Tc	747.88	K	Relay (1.0) Calculated Property
Tfus	277.95	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.23; 746.28]	J/mol×K	[738.88; 931.14]
Cp,gas	675.23	J/mol×K	738.88	Joback Calculated Property
Cp,gas	689.33	J/mol×K	770.92	Joback Calculated Property
Cp,gas	702.48	J/mol×K	802.97	Joback Calculated Property
Cp,gas	714.72	J/mol×K	835.01	Joback Calculated Property
Cp,gas	726.08	J/mol×K	867.06	Joback Calculated Property
Cp,gas	736.59	J/mol×K	899.10	Joback Calculated Property
Cp,gas	746.28	J/mol×K	931.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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