Chemical Properties of Fumaric acid, 2-isopropoxyphenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C16H16F4O5/c1-10(2)24-11-5-3-4-6-12(11)25-14(22)8-7-13(21)23-9-16(19,20)15(17)18/h3-8,10,15H,9H2,1-2H3/b8-7+

InChI Key

QABJWTPPBDQQOV-BQYQJAHWSA-N

Formula

C16H16F4O5

SMILES

CC(C)Oc1ccccc1OC(=O)C=CC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

364.29

• 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°	-1087.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1456.86	kJ/mol	Joback Calculated Property
ΔfusH°	35.67	kJ/mol	Joback Calculated Property
ΔvapH°	69.49	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.379		Crippen Calculated Property
McVol	236.070	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[1866.00; 1866.00]
Inp	1866.00		NIST
Inp	1866.00		NIST
Tboil	769.27	K	Joback Calculated Property
Tc	964.25	K	Joback Calculated Property
Tfus	445.27	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.06; 748.58]	J/mol×K	[769.27; 964.25]
Cp,gas	685.06	J/mol×K	769.27	Joback Calculated Property
Cp,gas	697.86	J/mol×K	801.77	Joback Calculated Property
Cp,gas	709.73	J/mol×K	834.26	Joback Calculated Property
Cp,gas	720.71	J/mol×K	866.76	Joback Calculated Property
Cp,gas	730.82	J/mol×K	899.26	Joback Calculated Property
Cp,gas	740.11	J/mol×K	931.75	Joback Calculated Property
Cp,gas	748.58	J/mol×K	964.25	Joback Calculated Property

Similar Compounds

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

Sources

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

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