Chemical Properties of Fumaric acid, heptyl 2,3,6-trichlorophenyl ester

InChI

InChI=1S/C17H19Cl3O4/c1-2-3-4-5-6-11-23-14(21)9-10-15(22)24-17-13(19)8-7-12(18)16(17)20/h7-10H,2-6,11H2,1H3/b10-9+

InChI Key

DUQKLYISVMGEDJ-MDZDMXLPSA-N

Formula

C17H19Cl3O4

SMILES

CCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

393.69

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.9299		Relay (... Calculated Property
ΔfG°	-247.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-735.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	51.03	kJ/mol	Joback Calculated Property
ΔvapH°	107.72	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-6.90		Relay (... Calculated Property
logPoct/wat	5.622		Crippen Calculated Property
McVol	273.930	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2683.00; 2683.00]
Inp	2683.00		NIST
Inp	2683.00		NIST
Tboil	622.32	K	Relay (... Calculated Property
Tc	881.54	K	Relay (... Calculated Property
Tfus	328.93	K	Relay (... Calculated Property
Vc	0.979	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.89; 803.09]	J/mol×K	[899.01; 1118.59]
Cp,gas	748.89	J/mol×K	899.01	Joback Calculated Property
Cp,gas	760.30	J/mol×K	935.61	Joback Calculated Property
Cp,gas	770.72	J/mol×K	972.20	Joback Calculated Property
Cp,gas	780.19	J/mol×K	1008.80	Joback Calculated Property
Cp,gas	788.72	J/mol×K	1045.40	Joback Calculated Property
Cp,gas	796.34	J/mol×K	1082.00	Joback Calculated Property
Cp,gas	803.09	J/mol×K	1118.59	Joback Calculated Property
η	[0.0000484; 0.0003225]	Pa×s	[574.33; 899.01]
η	0.0003225	Pa×s	574.33	Joback Calculated Property
η	0.0002051	Pa×s	628.44	Joback Calculated Property
η	0.0001402	Pa×s	682.56	Joback Calculated Property
η	0.0001013	Pa×s	736.67	Joback Calculated Property
η	0.0000766	Pa×s	790.78	Joback Calculated Property
η	0.0000600	Pa×s	844.90	Joback Calculated Property
η	0.0000484	Pa×s	899.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, heptyl 2,3,6-trichlorophenyl ester.

Sources

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

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