Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methylphenyl ester

InChI

InChI=1S/C14H14ClF3O4/c1-8-7-10(15)3-4-11(8)22-13(20)6-5-12(19)21-9(2)14(16,17)18/h3-4,7,9H,5-6H2,1-2H3

InChI Key

ZALHTXUTIKYBAC-UHFFFAOYSA-N

Formula

C14H14ClF3O4

SMILES

Cc1cc(Cl)ccc1OC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

338.71

• 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	0.7327		Relay (1.0) Calculated Property
ΔfG°	-903.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1401.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.35	kJ/mol	Joback Calculated Property
ΔvapH°	82.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.828		Crippen Calculated Property
McVol	216.790	ml/mol	McGowan Calculated Property
Pc	1867.55	kPa	Joback Calculated Property
Inp	[1801.00; 1801.00]
Inp	1801.00		NIST
Inp	1801.00		NIST
Tboil	570.22	K	Relay (1.0) Calculated Property
Tc	756.51	K	Relay (1.0) Calculated Property
Tfus	320.32	K	Relay (1.0) Calculated Property
Vc	0.780	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.27; 651.21]	J/mol×K	[740.51; 940.87]
Cp,gas	591.27	J/mol×K	740.51	Joback Calculated Property
Cp,gas	603.34	J/mol×K	773.90	Joback Calculated Property
Cp,gas	614.55	J/mol×K	807.30	Joback Calculated Property
Cp,gas	624.92	J/mol×K	840.69	Joback Calculated Property
Cp,gas	634.47	J/mol×K	874.08	Joback Calculated Property
Cp,gas	643.22	J/mol×K	907.47	Joback Calculated Property
Cp,gas	651.21	J/mol×K	940.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 4-chloro-2-methylphenyl ester.

Sources

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

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