Chemical Properties of Fumaric acid, pentafluorobenzyl 2,2-dichloroethyl ester

InChI

InChI=1S/C13H7Cl2F5O4/c14-6(15)4-24-8(22)2-1-7(21)23-3-5-9(16)11(18)13(20)12(19)10(5)17/h1-2,6H,3-4H2/b2-1+

InChI Key

BOJPTVVJOSWJQM-OWOJBTEDSA-N

Formula

C13H7Cl2F5O4

SMILES

O=C(C=CC(=O)OCC(Cl)Cl)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

393.09

• 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	0.7820		Relay (1.0) Calculated Property
ΔfG°	-1265.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1401.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.57	kJ/mol	Joback Calculated Property
ΔvapH°	92.32	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	3.328		Crippen Calculated Property
McVol	214.180	ml/mol	McGowan Calculated Property
Pc	1800.03	kPa	Joback Calculated Property
Inp	[1986.00; 1986.00]
Inp	1986.00		NIST
Inp	1986.00		NIST
Tboil	576.65	K	Relay (1.0) Calculated Property
Tc	776.16	K	Relay (1.0) Calculated Property
Tfus	357.99	K	Relay (1.0) Calculated Property
Vc	0.749	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.79; 588.50]	J/mol×K	[775.93; 970.22]
Cp,gas	544.79	J/mol×K	775.93	Joback Calculated Property
Cp,gas	553.68	J/mol×K	808.31	Joback Calculated Property
Cp,gas	561.92	J/mol×K	840.69	Joback Calculated Property
Cp,gas	569.52	J/mol×K	873.07	Joback Calculated Property
Cp,gas	576.48	J/mol×K	905.45	Joback Calculated Property
Cp,gas	582.80	J/mol×K	937.83	Joback Calculated Property
Cp,gas	588.50	J/mol×K	970.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl 2,2-dichloroethyl ester.

Sources

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

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