Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C14H9Cl3F6O4/c15-6-3-7(16)11(8(17)4-6)27-10(25)2-1-9(24)26-5-13(19,20)12(18)14(21,22)23/h3-4,12H,1-2,5H2

InChI Key

WADJFOLLLYRODJ-UHFFFAOYSA-N

Formula

C14H9Cl3F6O4

SMILES

O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

461.57

• 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°	-1518.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1866.43	kJ/mol	Joback Calculated Property
ΔfusH°	43.18	kJ/mol	Joback Calculated Property
ΔvapH°	74.61	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.411		Crippen Calculated Property
McVol	246.580	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[2072.00; 2072.00]
Inp	2072.00		NIST
Inp	2072.00		NIST
Tboil	814.93	K	Joback Calculated Property
Tc	1014.04	K	Joback Calculated Property
Tfus	538.98	K	Joback Calculated Property
Vc	0.987	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.73; 701.90]	J/mol×K	[814.93; 1014.04]
Cp,gas	659.73	J/mol×K	814.93	Joback Calculated Property
Cp,gas	668.56	J/mol×K	848.11	Joback Calculated Property
Cp,gas	676.61	J/mol×K	881.30	Joback Calculated Property
Cp,gas	683.93	J/mol×K	914.48	Joback Calculated Property
Cp,gas	690.56	J/mol×K	947.67	Joback Calculated Property
Cp,gas	696.54	J/mol×K	980.85	Joback Calculated Property
Cp,gas	701.90	J/mol×K	1014.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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