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

• 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°	-1844.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-2300.08	kJ/mol	Joback Calculated Property
ΔfusH°	38.34	kJ/mol	Joback Calculated Property
ΔvapH°	68.08	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen 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	805.65	K	Joback Calculated Property
Tc	994.15	K	Joback Calculated Property
Tfus	475.01	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.