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

InChI

InChI=1S/C15H9ClF8O4/c16-8-2-1-3-9(6-8)28-11(26)5-4-10(25)27-7-13(19,20)15(23,24)14(21,22)12(17)18/h1-6,12H,7H2/b5-4+

InChI Key

IHFHMNZRHFIVBP-SNAWJCMRSA-N

Formula

C15H9ClF8O4

SMILES

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

Molecular Weight¹

440.67

• 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	0.7921		Relay (1.0) Calculated Property
ΔfG°	-1773.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-2221.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.11	kJ/mol	Joback Calculated Property
ΔvapH°	92.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	4.516		Crippen Calculated Property
McVol	235.430	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[1916.00; 1916.00]
Inp	1916.00		NIST
Inp	1916.00		NIST
Tboil	584.25	K	Relay (1.0) Calculated Property
Tc	771.75	K	Relay (1.0) Calculated Property
Tfus	329.89	K	Relay (1.0) Calculated Property
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[664.69; 714.51]	J/mol×K	[752.46; 940.99]
Cp,gas	664.69	J/mol×K	752.46	Joback Calculated Property
Cp,gas	674.81	J/mol×K	783.88	Joback Calculated Property
Cp,gas	684.11	J/mol×K	815.30	Joback Calculated Property
Cp,gas	692.67	J/mol×K	846.73	Joback Calculated Property
Cp,gas	700.54	J/mol×K	878.15	Joback Calculated Property
Cp,gas	707.80	J/mol×K	909.57	Joback Calculated Property
Cp,gas	714.51	J/mol×K	940.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-chlorophenyl 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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