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

InChI

InChI=1S/C16H12F8O5/c1-27-9-4-2-3-5-10(9)29-12(26)7-6-11(25)28-8-14(19,20)16(23,24)15(21,22)13(17)18/h2-7,13H,8H2,1H3/b7-6+

InChI Key

JUJIOLJYRDJYTD-VOTSOKGWSA-N

Formula

C16H12F8O5

SMILES

COc1ccccc1OC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

436.25

• 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	0.8458		Relay (... Calculated Property
ΔfG°	-1858.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2347.73	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.86	kJ/mol	Relay (... Calculated Property
IE	9.04	eV	Relay (... Calculated Property
log10WS	-5.68		Relay (... Calculated Property
logPoct/wat	3.871		Crippen Calculated Property
McVol	243.150	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[1923.00; 1923.00]
Inp	1923.00		NIST
Inp	1923.00		NIST
Tboil	594.32	K	Relay (... Calculated Property
Tc	771.49	K	Relay (... Calculated Property
Tfus	343.90	K	Relay (... Calculated Property
Vc	0.876	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.73; 775.64]	J/mol×K	[760.33; 945.01]
Cp,gas	719.73	J/mol×K	760.33	Joback Calculated Property
Cp,gas	731.00	J/mol×K	791.11	Joback Calculated Property
Cp,gas	741.43	J/mol×K	821.89	Joback Calculated Property
Cp,gas	751.05	J/mol×K	852.67	Joback Calculated Property
Cp,gas	759.92	J/mol×K	883.45	Joback Calculated Property
Cp,gas	768.10	J/mol×K	914.23	Joback Calculated Property
Cp,gas	775.64	J/mol×K	945.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl 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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