Chemical Properties of Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester

InChI

InChI=1S/C18H10ClF5O4/c1-8-6-9(2-3-11(8)19)28-13(26)5-4-12(25)27-7-10-14(20)16(22)18(24)17(23)15(10)21/h2-6H,7H2,1H3/b5-4+

InChI Key

KYJINWZVQHDSRM-SNAWJCMRSA-N

Formula

C18H10ClF5O4

SMILES

Cc1cc(OC(=O)C=CC(=O)OCc2c(F)c(F)c(F)c(F)c2F)ccc1Cl

Molecular Weight¹

420.71

• 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°	-1115.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1390.75	kJ/mol	Joback Calculated Property
ΔfusH°	53.11	kJ/mol	Joback Calculated Property
ΔvapH°	83.42	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	4.549		Crippen Calculated Property
McVol	248.630	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2455.00; 2455.00]
Inp	2455.00		NIST
Inp	2455.00		NIST
Tboil	889.98	K	Joback Calculated Property
Tc	1101.71	K	Joback Calculated Property
Tfus	605.21	K	Joback Calculated Property
Vc	0.995	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.06; 734.46]	J/mol×K	[889.98; 1101.71]
Cp,gas	691.06	J/mol×K	889.98	Joback Calculated Property
Cp,gas	700.59	J/mol×K	925.27	Joback Calculated Property
Cp,gas	709.19	J/mol×K	960.56	Joback Calculated Property
Cp,gas	716.87	J/mol×K	995.84	Joback Calculated Property
Cp,gas	723.63	J/mol×K	1031.13	Joback Calculated Property
Cp,gas	729.49	J/mol×K	1066.42	Joback Calculated Property
Cp,gas	734.46	J/mol×K	1101.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester.

Sources

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

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