Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C17H22F8O4/c1-10(7-14(2,3)4)8-28-11(26)5-6-12(27)29-9-15(20,21)17(24,25)16(22,23)13(18)19/h5-6,10,13H,7-9H2,1-4H3/b6-5+

InChI Key

JZTCSECCKLVUCI-AATRIKPKSA-N

Formula

C17H22F8O4

SMILES

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

Molecular Weight¹

442.34

• 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	0.8025		Relay (... Calculated Property
ΔfG°	-1847.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-2523.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.50	kJ/mol	Joback Calculated Property
ΔvapH°	83.83	kJ/mol	Relay (... Calculated Property
IE	10.20	eV	Relay (... Calculated Property
log10WS	-6.78		Relay (... Calculated Property
logPoct/wat	4.872		Crippen Calculated Property
McVol	275.130	ml/mol	McGowan Calculated Property
Pc	1130.62	kPa	Joback Calculated Property
Inp	[1716.00; 1716.00]
Inp	1716.00		NIST
Inp	1716.00		NIST
Tboil	567.19	K	Relay (... Calculated Property
Tc	694.42	K	Relay (... Calculated Property
Tfus	324.67	K	Relay (... Calculated Property
Vc	1.007	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.14; 911.12]	J/mol×K	[725.46; 896.21]
Cp,gas	838.14	J/mol×K	725.46	Joback Calculated Property
Cp,gas	852.33	J/mol×K	753.92	Joback Calculated Property
Cp,gas	865.62	J/mol×K	782.38	Joback Calculated Property
Cp,gas	878.09	J/mol×K	810.83	Joback Calculated Property
Cp,gas	889.78	J/mol×K	839.29	Joback Calculated Property
Cp,gas	900.77	J/mol×K	867.75	Joback Calculated Property
Cp,gas	911.12	J/mol×K	896.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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