Chemical Properties of Fumaric acid, 2-chlorophenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H9Cl3O4/c13-8-3-1-2-4-9(8)19-12(17)6-5-11(16)18-7-10(14)15/h1-6,10H,7H2/b6-5+

InChI Key

WYSRASHEXLSRMZ-AATRIKPKSA-N

Formula

C12H9Cl3O4

SMILES

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

Molecular Weight¹

323.56

• 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	0.6999		Relay (1.0) Calculated Property
ΔfG°	-272.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
ΔvapH°	95.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.149		Crippen Calculated Property
McVol	203.480	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[2139.00; 2139.00]
Inp	2139.00		NIST
Inp	2139.00		NIST
Tboil	594.10	K	Relay (1.0) Calculated Property
Tc	848.12	K	Relay (1.0) Calculated Property
Tfus	348.37	K	Relay (1.0) Calculated Property
Vc	0.692	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.43; 527.62]	J/mol×K	[774.21; 1006.92]
Cp,gas	481.43	J/mol×K	774.21	Joback Calculated Property
Cp,gas	491.22	J/mol×K	813.00	Joback Calculated Property
Cp,gas	500.14	J/mol×K	851.78	Joback Calculated Property
Cp,gas	508.21	J/mol×K	890.57	Joback Calculated Property
Cp,gas	515.47	J/mol×K	929.35	Joback Calculated Property
Cp,gas	521.93	J/mol×K	968.14	Joback Calculated Property
Cp,gas	527.62	J/mol×K	1006.92	Joback Calculated Property
η	[0.0000873; 0.0007508]	Pa×s	[477.94; 774.21]
η	0.0007508	Pa×s	477.94	Joback Calculated Property
η	0.0004435	Pa×s	527.32	Joback Calculated Property
η	0.0002867	Pa×s	576.70	Joback Calculated Property
η	0.0001985	Pa×s	626.08	Joback Calculated Property
η	0.0001451	Pa×s	675.45	Joback Calculated Property
η	0.0001106	Pa×s	724.83	Joback Calculated Property
η	0.0000873	Pa×s	774.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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