Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C13H10Cl3F3O4/c1-6(13(17,18)19)22-10(20)2-3-11(21)23-12-8(15)4-7(14)5-9(12)16/h4-6H,2-3H2,1H3

InChI Key

YMGFMZRWMWHJLR-UHFFFAOYSA-N

Formula

C13H10Cl3F3O4

SMILES

CC(OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F

Molecular Weight¹

393.57

• 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	0.7626		Relay (1.0) Calculated Property
ΔfG°	-945.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1385.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
ΔvapH°	89.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.826		Crippen Calculated Property
McVol	227.180	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[1930.00; 1930.00]
Inp	1930.00		NIST
Inp	1930.00		NIST
Tboil	559.60	K	Relay (1.0) Calculated Property
Tc	792.12	K	Relay (1.0) Calculated Property
Tfus	343.07	K	Relay (1.0) Calculated Property
Vc	0.811	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.70; 626.59]	J/mol×K	[797.47; 1007.71]
Cp,gas	581.70	J/mol×K	797.47	Joback Calculated Property
Cp,gas	591.17	J/mol×K	832.51	Joback Calculated Property
Cp,gas	599.82	J/mol×K	867.55	Joback Calculated Property
Cp,gas	607.66	J/mol×K	902.59	Joback Calculated Property
Cp,gas	614.72	J/mol×K	937.63	Joback Calculated Property
Cp,gas	621.03	J/mol×K	972.67	Joback Calculated Property
Cp,gas	626.59	J/mol×K	1007.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,4,6-trichlorophenyl ester.

Sources

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

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