Chemical Properties of Fumaric acid, 2,6-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H8Cl2F4O4/c14-7-2-1-3-8(15)11(7)23-10(21)5-4-9(20)22-6-13(18,19)12(16)17/h1-5,12H,6H2/b5-4+

InChI Key

XRNWDXJNFWHLLB-SNAWJCMRSA-N

Formula

C13H8Cl2F4O4

SMILES

O=C(C=CC(=O)Oc1c(Cl)cccc1Cl)OCC(F)(F)C(F)F

Molecular Weight¹

375.10

• 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°	-1038.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1300.39	kJ/mol	Joback Calculated Property
ΔfusH°	38.24	kJ/mol	Joback Calculated Property
ΔvapH°	70.22	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.899		Crippen Calculated Property
McVol	212.410	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[1903.00; 1903.00]
Inp	1903.00		NIST
Inp	1903.00		NIST
Tboil	758.49	K	Joback Calculated Property
Tc	963.59	K	Joback Calculated Property
Tfus	476.59	K	Joback Calculated Property
Vc	0.837	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.56; 590.89]	J/mol×K	[758.49; 963.59]
Cp,gas	544.56	J/mol×K	758.49	Joback Calculated Property
Cp,gas	554.08	J/mol×K	792.67	Joback Calculated Property
Cp,gas	562.83	J/mol×K	826.86	Joback Calculated Property
Cp,gas	570.85	J/mol×K	861.04	Joback Calculated Property
Cp,gas	578.18	J/mol×K	895.22	Joback Calculated Property
Cp,gas	584.84	J/mol×K	929.40	Joback Calculated Property
Cp,gas	590.89	J/mol×K	963.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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