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

InChI

InChI=1S/C15H18F8O4/c1-9(2)4-3-7-26-10(24)5-6-11(25)27-8-13(18,19)15(22,23)14(20,21)12(16)17/h5-6,9,12H,3-4,7-8H2,1-2H3/b6-5+

InChI Key

JADRWXAMLNKKKK-AATRIKPKSA-N

Formula

C15H18F8O4

SMILES

CC(C)CCCOC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

414.29

• 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°	-1867.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-2331.00	kJ/mol	Joback Calculated Property
ΔfusH°	35.73	kJ/mol	Joback Calculated Property
ΔvapH°	56.05	kJ/mol	Joback Calculated Property
log10WS	-4.69		Crippen Calculated Property
logPoct/wat	4.236		Crippen Calculated Property
McVol	246.950	ml/mol	McGowan Calculated Property
Pc	1274.60	kPa	Joback Calculated Property
Inp	[1625.00; 1625.00]
Inp	1625.00		NIST
Inp	1625.00		NIST
Tboil	682.93	K	Joback Calculated Property
Tc	846.80	K	Joback Calculated Property
Tfus	380.03	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.13; 794.69]	J/mol×K	[682.93; 846.80]
Cp,gas	726.13	J/mol×K	682.93	Joback Calculated Property
Cp,gas	739.39	J/mol×K	710.24	Joback Calculated Property
Cp,gas	751.87	J/mol×K	737.55	Joback Calculated Property
Cp,gas	763.59	J/mol×K	764.86	Joback Calculated Property
Cp,gas	774.61	J/mol×K	792.18	Joback Calculated Property
Cp,gas	784.96	J/mol×K	819.49	Joback Calculated Property
Cp,gas	794.69	J/mol×K	846.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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