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

InChI

InChI=1S/C15H22F4O4/c1-3-5-7-11(6-4-2)23-13(21)9-8-12(20)22-10-15(18,19)14(16)17/h8-9,11,14H,3-7,10H2,1-2H3/b9-8+

InChI Key

AVMLTGZKLWWCOO-CMDGGOBGSA-N

Formula

C15H22F4O4

SMILES

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

Molecular Weight¹

342.33

• 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°	-1093.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1529.06	kJ/mol	Joback Calculated Property
ΔfusH°	38.24	kJ/mol	Joback Calculated Property
ΔvapH°	61.91	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	3.888		Crippen Calculated Property
McVol	239.870	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[1647.00; 1647.00]
Inp	1647.00		NIST
Inp	1647.00		NIST
Tboil	692.31	K	Joback Calculated Property
Tc	863.21	K	Joback Calculated Property
Tfus	372.83	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.47; 764.91]	J/mol×K	[692.31; 863.21]
Cp,gas	689.47	J/mol×K	692.31	Joback Calculated Property
Cp,gas	703.87	J/mol×K	720.79	Joback Calculated Property
Cp,gas	717.51	J/mol×K	749.28	Joback Calculated Property
Cp,gas	730.40	J/mol×K	777.76	Joback Calculated Property
Cp,gas	742.59	J/mol×K	806.24	Joback Calculated Property
Cp,gas	754.08	J/mol×K	834.73	Joback Calculated Property
Cp,gas	764.91	J/mol×K	863.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-octyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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