Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C17H14F8O6/c1-28-9-4-3-5-10(29-2)13(9)31-12(27)7-6-11(26)30-8-15(20,21)17(24,25)16(22,23)14(18)19/h3-7,14H,8H2,1-2H3/b7-6+

InChI Key

MWWNADKBBFZCHQ-VOTSOKGWSA-N

Formula

C17H14F8O6

SMILES

COc1cccc(OC)c1OC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

466.28

• 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	0.9291		Relay (1.0) Calculated Property
ΔfG°	-1964.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-2485.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.08	kJ/mol	Joback Calculated Property
ΔvapH°	98.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	3.880		Crippen Calculated Property
McVol	263.110	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[2121.00; 2121.00]
Inp	2121.00		NIST
Inp	2121.00		NIST
Tboil	617.27	K	Relay (1.0) Calculated Property
Tc	787.76	K	Relay (1.0) Calculated Property
Tfus	359.52	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.28; 854.52]	J/mol×K	[810.61; 999.04]
Cp,gas	799.28	J/mol×K	810.61	Joback Calculated Property
Cp,gas	810.57	J/mol×K	842.01	Joback Calculated Property
Cp,gas	820.97	J/mol×K	873.42	Joback Calculated Property
Cp,gas	830.52	J/mol×K	904.82	Joback Calculated Property
Cp,gas	839.26	J/mol×K	936.23	Joback Calculated Property
Cp,gas	847.25	J/mol×K	967.63	Joback Calculated Property
Cp,gas	854.52	J/mol×K	999.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 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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