Chemical Properties of Fumaric acid, 2,5-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H8Cl2F4O4/c14-7-1-2-8(15)9(5-7)23-11(21)4-3-10(20)22-6-13(18,19)12(16)17/h1-5,12H,6H2/b4-3+

InChI Key

HZHSICZQGXJBPQ-ONEGZZNKSA-N

Formula

C13H8Cl2F4O4

SMILES

O=C(C=CC(=O)Oc1cc(Cl)ccc1Cl)OCC(F)(F)C(F)F

Molecular Weight¹

375.10

• 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	0.7503		Relay (1.0) Calculated Property
ΔfG°	-1038.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1408.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.24	kJ/mol	Joback Calculated Property
ΔvapH°	92.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) 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	[1927.00; 1927.00]
Inp	1927.00		NIST
Inp	1927.00		NIST
Tboil	575.16	K	Relay (1.0) Calculated Property
Tc	792.29	K	Relay (1.0) Calculated Property
Tfus	353.05	K	Relay (1.0) Calculated Property
Vc	0.740	m3/kmol	Relay (1.0) 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, 2,5-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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