Chemical Properties of Fumaric acid, di(pentafluorobenzyl) ester

InChI

InChI=1S/C18H6F10O4/c19-9-5(10(20)14(24)17(27)13(9)23)3-31-7(29)1-2-8(30)32-4-6-11(21)15(25)18(28)16(26)12(6)22/h1-2H,3-4H2/b2-1+

InChI Key

IIQZBSJRHSWMSU-OWOJBTEDSA-N

Formula

C18H6F10O4

SMILES

O=C(C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

476.22

• 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°	-2106.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-2389.97	kJ/mol	Joback Calculated Property
ΔfusH°	63.14	kJ/mol	Joback Calculated Property
ΔvapH°	76.93	kJ/mol	Joback Calculated Property
log10WS	-7.45		Crippen Calculated Property
logPoct/wat	4.420		Crippen Calculated Property
McVol	245.240	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[2146.00; 2146.00]
Inp	2146.00		NIST
Inp	2146.00		NIST
Tboil	863.84	K	Joback Calculated Property
Tc	1058.51	K	Joback Calculated Property
Tfus	615.80	K	Joback Calculated Property
Vc	1.036	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.94; 745.27]	J/mol×K	[863.84; 1058.51]
Cp,gas	702.94	J/mol×K	863.84	Joback Calculated Property
Cp,gas	712.05	J/mol×K	896.28	Joback Calculated Property
Cp,gas	720.34	J/mol×K	928.73	Joback Calculated Property
Cp,gas	727.81	J/mol×K	961.17	Joback Calculated Property
Cp,gas	734.46	J/mol×K	993.62	Joback Calculated Property
Cp,gas	740.28	J/mol×K	1026.06	Joback Calculated Property
Cp,gas	745.27	J/mol×K	1058.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(pentafluorobenzyl) ester.

Sources

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

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