Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 2,2-dichloroethyl ester

InChI

InChI=1S/C12H8Cl4O4/c13-7-1-2-9(8(14)5-7)20-12(18)4-3-11(17)19-6-10(15)16/h1-5,10H,6H2/b4-3+

InChI Key

ROOBKPXDNAQUAD-ONEGZZNKSA-N

Formula

C12H8Cl4O4

SMILES

O=C(C=CC(=O)Oc1ccc(Cl)cc1Cl)OCC(Cl)Cl

Molecular Weight¹

358.00

• 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	0.7371		Relay (1.0) Calculated Property
ΔfG°	-294.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.14	kJ/mol	Joback Calculated Property
ΔvapH°	100.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	3.802		Crippen Calculated Property
McVol	215.720	ml/mol	McGowan Calculated Property
Pc	2345.09	kPa	Joback Calculated Property
Inp	[2307.00; 2307.00]
Inp	2307.00		NIST
Inp	2307.00		NIST
Tboil	604.59	K	Relay (1.0) Calculated Property
Tc	865.80	K	Relay (1.0) Calculated Property
Tfus	350.56	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.69; 538.23]	J/mol×K	[816.62; 1052.51]
Cp,gas	498.69	J/mol×K	816.62	Joback Calculated Property
Cp,gas	507.33	J/mol×K	855.93	Joback Calculated Property
Cp,gas	515.11	J/mol×K	895.25	Joback Calculated Property
Cp,gas	522.08	J/mol×K	934.56	Joback Calculated Property
Cp,gas	528.23	J/mol×K	973.88	Joback Calculated Property
Cp,gas	533.61	J/mol×K	1013.19	Joback Calculated Property
Cp,gas	538.23	J/mol×K	1052.51	Joback Calculated Property
η	[0.0000765; 0.0005416]	Pa×s	[520.38; 816.62]
η	0.0005416	Pa×s	520.38	Joback Calculated Property
η	0.0003393	Pa×s	569.75	Joback Calculated Property
η	0.0002291	Pa×s	619.13	Joback Calculated Property
η	0.0001639	Pa×s	668.50	Joback Calculated Property
η	0.0001228	Pa×s	717.87	Joback Calculated Property
η	0.0000955	Pa×s	767.25	Joback Calculated Property
η	0.0000765	Pa×s	816.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2,2-dichloroethyl ester.

Sources

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

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