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

InChI

InChI=1S/C15H22F4O4/c1-10(7-14(2,3)4)8-22-11(20)5-6-12(21)23-9-15(18,19)13(16)17/h5-6,10,13H,7-9H2,1-4H3/b6-5+

InChI Key

VCBPVEHYIFBMGW-AATRIKPKSA-N

Formula

C15H22F4O4

SMILES

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

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°	-1090.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1537.81	kJ/mol	Joback Calculated Property
ΔfusH°	30.83	kJ/mol	Joback Calculated Property
ΔvapH°	60.62	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	3.602		Crippen Calculated Property
McVol	239.870	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Inp	[1620.00; 1620.00]
Inp	1620.00		NIST
Inp	1620.00		NIST
Tboil	689.08	K	Joback Calculated Property
Tc	865.41	K	Joback Calculated Property
Tfus	375.25	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.98; 768.09]	J/mol×K	[689.08; 865.41]
Cp,gas	691.98	J/mol×K	689.08	Joback Calculated Property
Cp,gas	706.65	J/mol×K	718.47	Joback Calculated Property
Cp,gas	720.47	J/mol×K	747.86	Joback Calculated Property
Cp,gas	733.49	J/mol×K	777.25	Joback Calculated Property
Cp,gas	745.74	J/mol×K	806.64	Joback Calculated Property
Cp,gas	757.26	J/mol×K	836.03	Joback Calculated Property
Cp,gas	768.09	J/mol×K	865.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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