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

InChI

InChI=1S/C14H11ClF6O4/c15-8-2-1-3-9(6-8)25-11(23)5-4-10(22)24-7-13(17,18)12(16)14(19,20)21/h1-3,6,12H,4-5,7H2

InChI Key

FVYYZPUSRCHDOB-UHFFFAOYSA-N

Formula

C14H11ClF6O4

SMILES

O=C(CCC(=O)Oc1cccc(Cl)c1)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

392.68

• 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	0.7747		Relay (1.0) Calculated Property
ΔfG°	-1475.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1951.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
ΔvapH°	85.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-5.36		Relay (1.0) Calculated Property
logPoct/wat	4.104		Crippen Calculated Property
McVol	222.100	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	575.16	K	Relay (1.0) Calculated Property
Tc	752.03	K	Relay (1.0) Calculated Property
Tfus	300.96	K	Relay (1.0) Calculated Property
Vc	0.800	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[618.61; 673.14]	J/mol×K	[730.11; 918.46]
Cp,gas	618.61	J/mol×K	730.11	Joback Calculated Property
Cp,gas	629.63	J/mol×K	761.50	Joback Calculated Property
Cp,gas	639.82	J/mol×K	792.89	Joback Calculated Property
Cp,gas	649.23	J/mol×K	824.28	Joback Calculated Property
Cp,gas	657.89	J/mol×K	855.67	Joback Calculated Property
Cp,gas	665.85	J/mol×K	887.07	Joback Calculated Property
Cp,gas	673.14	J/mol×K	918.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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