Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 3,5-dichlorophenyl ester

InChI

InChI=1S/C13H11Cl2F3O4/c1-7(13(16,17)18)21-11(19)2-3-12(20)22-10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3

InChI Key

IROSLMLLIUVTBK-UHFFFAOYSA-N

Formula

C13H11Cl2F3O4

SMILES

CC(OC(=O)CCC(=O)Oc1cc(Cl)cc(Cl)c1)C(F)(F)F

Molecular Weight¹

359.12

• 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°	-924.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1221.50	kJ/mol	Joback Calculated Property
ΔfusH°	34.96	kJ/mol	Joback Calculated Property
ΔvapH°	71.08	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen 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	[1877.00; 1877.00]
Inp	1877.00		NIST
Inp	1877.00		NIST
Tboil	755.06	K	Joback Calculated Property
Tc	960.89	K	Joback Calculated Property
Tfus	481.08	K	Joback Calculated Property
Vc	0.839	m3/kmol	Joback 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 3,5-dichlorophenyl ester.

Sources

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

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