Chemical Properties of Succinic acid, 8-chlorooctyl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C16H23ClF6O4/c17-9-5-3-1-2-4-6-10-26-12(24)7-8-13(25)27-11-15(19,20)14(18)16(21,22)23/h14H,1-11H2

InChI Key

GFKGRKKVQLHTSE-UHFFFAOYSA-N

Formula

C16H23ClF6O4

SMILES

O=C(CCC(=O)OCC(F)(F)C(F)C(F)(F)F)OCCCCCCCCCl

Molecular Weight¹

428.80

• 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	0.9483		Relay (... Calculated Property
ΔfG°	-1561.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-2214.66	kJ/mol	Relay (... Calculated Property
ΔfusH°	47.10	kJ/mol	Joback Calculated Property
ΔvapH°	92.51	kJ/mol	Relay (... Calculated Property
IE	10.42	eV	Relay (... Calculated Property
log10WS	-5.78		Relay (... Calculated Property
logPoct/wat	4.968		Crippen Calculated Property
McVol	274.040	ml/mol	McGowan Calculated Property
Pc	1170.42	kPa	Joback Calculated Property
Inp	[2062.00; 2062.00]
Inp	2062.00		NIST
Inp	2062.00		NIST
Tboil	576.69	K	Relay (... Calculated Property
Tc	725.19	K	Relay (... Calculated Property
Tfus	279.58	K	Relay (... Calculated Property
Vc	1.017	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.31; 887.28]	J/mol×K	[744.21; 914.90]
Cp,gas	815.31	J/mol×K	744.21	Joback Calculated Property
Cp,gas	829.23	J/mol×K	772.66	Joback Calculated Property
Cp,gas	842.33	J/mol×K	801.11	Joback Calculated Property
Cp,gas	854.66	J/mol×K	829.56	Joback Calculated Property
Cp,gas	866.24	J/mol×K	858.01	Joback Calculated Property
Cp,gas	877.10	J/mol×K	886.45	Joback Calculated Property
Cp,gas	887.28	J/mol×K	914.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 8-chlorooctyl 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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