Chemical Properties of Fumaric acid, 2-chlorophenyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H9ClF4O4/c14-8-3-1-2-4-9(8)22-11(20)6-5-10(19)21-7-13(17,18)12(15)16/h1-6,12H,7H2/b6-5+

InChI Key

JINZRBSIVPZAEZ-AATRIKPKSA-N

Formula

C13H9ClF4O4

SMILES

O=C(C=CC(=O)Oc1ccccc1Cl)OCC(F)(F)C(F)F

Molecular Weight¹

340.65

• 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	0.7132		Relay (1.0) Calculated Property
ΔfG°	-1017.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1381.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.43	kJ/mol	Joback Calculated Property
ΔvapH°	85.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.245		Crippen Calculated Property
McVol	200.170	ml/mol	McGowan Calculated Property
Pc	2073.65	kPa	Joback Calculated Property
Inp	[1777.00; 1777.00]
Inp	1777.00		NIST
Inp	1777.00		NIST
Tboil	556.90	K	Relay (1.0) Calculated Property
Tc	773.16	K	Relay (1.0) Calculated Property
Tfus	346.20	K	Relay (1.0) Calculated Property
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.10; 576.61]	J/mol×K	[716.08; 916.69]
Cp,gas	524.10	J/mol×K	716.08	Joback Calculated Property
Cp,gas	534.73	J/mol×K	749.51	Joback Calculated Property
Cp,gas	544.56	J/mol×K	782.95	Joback Calculated Property
Cp,gas	553.63	J/mol×K	816.38	Joback Calculated Property
Cp,gas	561.96	J/mol×K	849.82	Joback Calculated Property
Cp,gas	569.61	J/mol×K	883.25	Joback Calculated Property
Cp,gas	576.61	J/mol×K	916.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-chlorophenyl 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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