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

InChI

InChI=1S/C17H22F8O4/c1-3-5-7-11(6-4-2)29-13(27)9-8-12(26)28-10-15(20,21)17(24,25)16(22,23)14(18)19/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+

InChI Key

HEOGZYCPKMKLOT-CMDGGOBGSA-N

Formula

C17H22F8O4

SMILES

CCCCC(CCC)OC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

442.34

• 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°	-1850.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-2372.28	kJ/mol	Joback Calculated Property
ΔfusH°	40.91	kJ/mol	Joback Calculated Property
ΔvapH°	60.51	kJ/mol	Joback Calculated Property
log10WS	-5.89		Crippen Calculated Property
logPoct/wat	5.159		Crippen Calculated Property
McVol	275.130	ml/mol	McGowan Calculated Property
Pc	1116.31	kPa	Joback Calculated Property
Inp	[1740.00; 1740.00]
Inp	1740.00		NIST
Inp	1740.00		NIST
Tboil	728.69	K	Joback Calculated Property
Tc	896.59	K	Joback Calculated Property
Tfus	402.57	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[835.97; 909.18]	J/mol×K	[728.69; 896.59]
Cp,gas	835.97	J/mol×K	728.69	Joback Calculated Property
Cp,gas	850.12	J/mol×K	756.67	Joback Calculated Property
Cp,gas	863.42	J/mol×K	784.66	Joback Calculated Property
Cp,gas	875.93	J/mol×K	812.64	Joback Calculated Property
Cp,gas	887.69	J/mol×K	840.62	Joback Calculated Property
Cp,gas	898.76	J/mol×K	868.61	Joback Calculated Property
Cp,gas	909.18	J/mol×K	896.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-octyl 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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