Chemical Properties of Fumaric acid, 2,6-dichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C15H8Cl2F8O4/c16-7-2-1-3-8(17)11(7)29-10(27)5-4-9(26)28-6-13(20,21)15(24,25)14(22,23)12(18)19/h1-5,12H,6H2/b5-4+

InChI Key

WDQJLWNBIAIJGJ-SNAWJCMRSA-N

Formula

C15H8Cl2F8O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cccc1Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

475.12

• 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	0.8152		Relay (... Calculated Property
ΔfG°	-1795.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-2221.00	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.91	kJ/mol	Joback Calculated Property
ΔvapH°	96.71	kJ/mol	Relay (... Calculated Property
IE	9.78	eV	Relay (... Calculated Property
log10WS	-6.95		Relay (... Calculated Property
logPoct/wat	5.169		Crippen Calculated Property
McVol	247.670	ml/mol	McGowan Calculated Property
Pc	1499.99	kPa	Joback Calculated Property
Inp	[2009.00; 2009.00]
Inp	2009.00		NIST
Inp	2009.00		NIST
Tboil	574.73	K	Relay (... Calculated Property
Tc	794.18	K	Relay (... Calculated Property
Tfus	348.25	K	Relay (... Calculated Property
Vc	0.880	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.93; 729.16]	J/mol×K	[794.87; 988.99]
Cp,gas	684.93	J/mol×K	794.87	Joback Calculated Property
Cp,gas	693.95	J/mol×K	827.22	Joback Calculated Property
Cp,gas	702.22	J/mol×K	859.58	Joback Calculated Property
Cp,gas	709.80	J/mol×K	891.93	Joback Calculated Property
Cp,gas	716.78	J/mol×K	924.28	Joback Calculated Property
Cp,gas	723.20	J/mol×K	956.64	Joback Calculated Property
Cp,gas	729.16	J/mol×K	988.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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