Chemical Properties of Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester

InChI

InChI=1S/C17H8ClF5O4/c18-8-2-1-3-9(6-8)27-12(25)5-4-11(24)26-7-10-13(19)15(21)17(23)16(22)14(10)20/h1-6H,7H2/b5-4+

InChI Key

YWGFYOJDDQSAEK-SNAWJCMRSA-N

Formula

C17H8ClF5O4

SMILES

O=C(C=CC(=O)Oc1cccc(Cl)c1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

406.69

• 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°	-1114.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1358.64	kJ/mol	Joback Calculated Property
ΔfusH°	50.91	kJ/mol	Joback Calculated Property
ΔvapH°	80.53	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	4.240		Crippen Calculated Property
McVol	234.540	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[2299.00; 2299.00]
Inp	2299.00		NIST
Inp	2299.00		NIST
Tboil	862.12	K	Joback Calculated Property
Tc	1072.85	K	Joback Calculated Property
Tfus	581.42	K	Joback Calculated Property
Vc	0.939	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.79; 680.47]	J/mol×K	[862.12; 1072.85]
Cp,gas	637.79	J/mol×K	862.12	Joback Calculated Property
Cp,gas	647.05	J/mol×K	897.24	Joback Calculated Property
Cp,gas	655.43	J/mol×K	932.36	Joback Calculated Property
Cp,gas	662.96	J/mol×K	967.48	Joback Calculated Property
Cp,gas	669.63	J/mol×K	1002.60	Joback Calculated Property
Cp,gas	675.46	J/mol×K	1037.73	Joback Calculated Property
Cp,gas	680.47	J/mol×K	1072.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester.

Sources

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

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