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

InChI

InChI=1S/C14H16F8O4/c1-8(2)5-6-25-9(23)3-4-10(24)26-7-12(17,18)14(21,22)13(19,20)11(15)16/h3-4,8,11H,5-7H2,1-2H3/b4-3+

InChI Key

IVRZADLFRIWRDA-ONEGZZNKSA-N

Formula

C14H16F8O4

SMILES

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

Molecular Weight¹

400.26

• 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°	-1875.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-2310.36	kJ/mol	Joback Calculated Property
ΔfusH°	33.14	kJ/mol	Joback Calculated Property
ΔvapH°	53.83	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	3.846		Crippen Calculated Property
McVol	232.860	ml/mol	McGowan Calculated Property
Pc	1366.68	kPa	Joback Calculated Property
Inp	[1548.00; 1548.00]
Inp	1548.00		NIST
Inp	1548.00		NIST
Tboil	660.05	K	Joback Calculated Property
Tc	822.71	K	Joback Calculated Property
Tfus	368.76	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.85; 739.09]	J/mol×K	[660.05; 822.71]
Cp,gas	672.85	J/mol×K	660.05	Joback Calculated Property
Cp,gas	685.69	J/mol×K	687.16	Joback Calculated Property
Cp,gas	697.75	J/mol×K	714.27	Joback Calculated Property
Cp,gas	709.09	J/mol×K	741.38	Joback Calculated Property
Cp,gas	719.72	J/mol×K	768.49	Joback Calculated Property
Cp,gas	729.71	J/mol×K	795.60	Joback Calculated Property
Cp,gas	739.09	J/mol×K	822.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-methylbutyl 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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