Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C15H14F4O4/c1-9-5-10(2)7-11(6-9)23-13(21)4-3-12(20)22-8-15(18,19)14(16)17/h3-7,14H,8H2,1-2H3/b4-3+

InChI Key

UFTUQPATWXOULM-ONEGZZNKSA-N

Formula

C15H14F4O4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)OCC(F)(F)C(F)F)c1

Molecular Weight¹

334.26

• 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°	-997.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1310.19	kJ/mol	Joback Calculated Property
ΔfusH°	35.03	kJ/mol	Joback Calculated Property
ΔvapH°	65.90	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen Calculated Property
logPoct/wat	3.209		Crippen Calculated Property
McVol	216.110	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	729.39	K	Joback Calculated Property
Tc	923.77	K	Joback Calculated Property
Tfus	439.29	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.99; 665.72]	J/mol×K	[729.39; 923.77]
Cp,gas	602.99	J/mol×K	729.39	Joback Calculated Property
Cp,gas	615.42	J/mol×K	761.79	Joback Calculated Property
Cp,gas	627.02	J/mol×K	794.18	Joback Calculated Property
Cp,gas	637.82	J/mol×K	826.58	Joback Calculated Property
Cp,gas	647.84	J/mol×K	858.98	Joback Calculated Property
Cp,gas	657.14	J/mol×K	891.37	Joback Calculated Property
Cp,gas	665.72	J/mol×K	923.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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