Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dichlorophenyl ester

InChI

InChI=1S/C13H11Cl2F3O4/c1-7(13(16,17)18)21-10(19)5-6-11(20)22-12-8(14)3-2-4-9(12)15/h2-4,7H,5-6H2,1H3

InChI Key

JBERYHVUQWILRK-UHFFFAOYSA-N

Formula

C13H11Cl2F3O4

SMILES

CC(OC(=O)CCC(=O)Oc1c(Cl)cccc1Cl)C(F)(F)F

Molecular Weight¹

359.12

• 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	0.7276		Relay (1.0) Calculated Property
ΔfG°	-924.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1367.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.96	kJ/mol	Joback Calculated Property
ΔvapH°	84.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.173		Crippen Calculated Property
McVol	214.940	ml/mol	McGowan Calculated Property
Pc	1966.56	kPa	Joback Calculated Property
Inp	[1875.00; 1875.00]
Inp	1875.00		NIST
Inp	1875.00		NIST
Tboil	545.24	K	Relay (1.0) Calculated Property
Tc	770.88	K	Relay (1.0) Calculated Property
Tfus	339.99	K	Relay (1.0) Calculated Property
Vc	0.768	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.96; 613.48]	J/mol×K	[755.06; 960.89]
Cp,gas	561.96	J/mol×K	755.06	Joback Calculated Property
Cp,gas	572.56	J/mol×K	789.36	Joback Calculated Property
Cp,gas	582.32	J/mol×K	823.67	Joback Calculated Property
Cp,gas	591.27	J/mol×K	857.97	Joback Calculated Property
Cp,gas	599.43	J/mol×K	892.28	Joback Calculated Property
Cp,gas	606.83	J/mol×K	926.58	Joback Calculated Property
Cp,gas	613.48	J/mol×K	960.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dichlorophenyl ester.

Sources

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

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