Chemical Properties of Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H23F3O4/c1-4-6-7-12(5-2)10-21-13(19)8-9-14(20)22-11(3)15(16,17)18/h8-9,11-12H,4-7,10H2,1-3H3/b9-8+

InChI Key

JVUVRLBFZQCDSG-CMDGGOBGSA-N

Formula

C15H23F3O4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)OC(C)C(F)(F)F

Molecular Weight¹

324.34

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7451		Relay (... Calculated Property
ΔfG°	-898.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1531.20	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.16	kJ/mol	Joback Calculated Property
ΔvapH°	77.46	kJ/mol	Relay (... Calculated Property
IE	10.41	eV	Relay (... Calculated Property
log10WS	-4.77		Relay (... Calculated Property
logPoct/wat	3.796		Crippen Calculated Property
McVol	238.100	ml/mol	McGowan Calculated Property
Pc	1463.49	kPa	Joback Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		NIST
Tboil	534.43	K	Relay (... Calculated Property
Tc	674.13	K	Relay (... Calculated Property
Tfus	245.43	K	Relay (... Calculated Property
Vc	0.843	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.61; 759.26]	J/mol×K	[693.04; 868.58]
Cp,gas	681.61	J/mol×K	693.04	Joback Calculated Property
Cp,gas	696.46	J/mol×K	722.30	Joback Calculated Property
Cp,gas	710.51	J/mol×K	751.55	Joback Calculated Property
Cp,gas	723.79	J/mol×K	780.81	Joback Calculated Property
Cp,gas	736.32	J/mol×K	810.07	Joback Calculated Property
Cp,gas	748.14	J/mol×K	839.32	Joback Calculated Property
Cp,gas	759.26	J/mol×K	868.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-ethylhexyl 1,1,1-trifluoroprop-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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