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

InChI

InChI=1S/C18H16F8O5/c1-10(2)30-11-5-3-4-6-12(11)31-14(28)8-7-13(27)29-9-16(21,22)18(25,26)17(23,24)15(19)20/h3-8,10,15H,9H2,1-2H3/b8-7+

InChI Key

FGZCOVXFCXJZBE-BQYQJAHWSA-N

Formula

C18H16F8O5

SMILES

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

Molecular Weight¹

464.30

• 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	0.8790		Relay (... Calculated Property
ΔfG°	-1844.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-2426.81	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.34	kJ/mol	Joback Calculated Property
ΔvapH°	95.07	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-5.90		Relay (... Calculated Property
logPoct/wat	4.650		Crippen Calculated Property
McVol	271.330	ml/mol	McGowan Calculated Property
Pc	1284.67	kPa	Joback Calculated Property
Inp	[1967.00; 1967.00]
Inp	1967.00		NIST
Inp	1967.00		NIST
Tboil	599.14	K	Relay (... Calculated Property
Tc	776.34	K	Relay (... Calculated Property
Tfus	342.88	K	Relay (... Calculated Property
Vc	0.988	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.86; 889.95]	J/mol×K	[805.65; 994.15]
Cp,gas	829.86	J/mol×K	805.65	Joback Calculated Property
Cp,gas	841.95	J/mol×K	837.07	Joback Calculated Property
Cp,gas	853.14	J/mol×K	868.48	Joback Calculated Property
Cp,gas	863.46	J/mol×K	899.90	Joback Calculated Property
Cp,gas	873.00	J/mol×K	931.32	Joback Calculated Property
Cp,gas	881.81	J/mol×K	962.73	Joback Calculated Property
Cp,gas	889.95	J/mol×K	994.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 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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