Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H14Cl2O6/c1-19-9-4-3-5-10(20-2)14(9)22-13(18)7-6-12(17)21-8-11(15)16/h3-7,11H,8H2,1-2H3/b7-6+

InChI Key

HLTRWFDYVVWERS-VOTSOKGWSA-N

Formula

C14H14Cl2O6

SMILES

COc1cccc(OC)c1OC(=O)C=CC(=O)OCC(Cl)Cl

Molecular Weight¹

349.16

• 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	0.8443		Relay (1.0) Calculated Property
ΔfG°	-463.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.30	kJ/mol	Joback Calculated Property
ΔvapH°	99.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	2.512		Crippen Calculated Property
McVol	231.160	ml/mol	McGowan Calculated Property
Pc	2034.55	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	630.66	K	Relay (1.0) Calculated Property
Tc	856.24	K	Relay (1.0) Calculated Property
Tfus	383.60	K	Relay (1.0) Calculated Property
Vc	0.801	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.14; 663.89]	J/mol×K	[832.36; 1052.66]
Cp,gas	614.14	J/mol×K	832.36	Joback Calculated Property
Cp,gas	625.09	J/mol×K	869.08	Joback Calculated Property
Cp,gas	635.00	J/mol×K	905.79	Joback Calculated Property
Cp,gas	643.84	J/mol×K	942.51	Joback Calculated Property
Cp,gas	651.61	J/mol×K	979.22	Joback Calculated Property
Cp,gas	658.30	J/mol×K	1015.94	Joback Calculated Property
Cp,gas	663.89	J/mol×K	1052.66	Joback Calculated Property
η	[0.0000435; 0.0003253]	Pa×s	[527.54; 832.36]
η	0.0003253	Pa×s	527.54	Joback Calculated Property
η	0.0002008	Pa×s	578.34	Joback Calculated Property
η	0.0001340	Pa×s	629.15	Joback Calculated Property
η	0.0000950	Pa×s	679.95	Joback Calculated Property
η	0.0000706	Pa×s	730.75	Joback Calculated Property
η	0.0000546	Pa×s	781.56	Joback Calculated Property
η	0.0000435	Pa×s	832.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl 2,2-dichloroethyl ester.

Sources

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

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