Chemical Properties of Fumaric acid, di(2,2-dichloroethyl) ester

InChI

InChI=1S/C8H8Cl4O4/c9-5(10)3-15-7(13)1-2-8(14)16-4-6(11)12/h1-2,5-6H,3-4H2/b2-1+

InChI Key

FSRFBNQOJOZBHW-OWOJBTEDSA-N

Formula

C8H8Cl4O4

SMILES

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

Molecular Weight¹

309.96

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.16	kJ/mol	Joback Calculated Property
logPoct/wat	2.236		Crippen Calculated Property
McVol	183.120	ml/mol	McGowan Calculated Property
Inp	[1874.00; 1874.00]
Inp	1874.00		NIST
Inp	1874.00		NIST
Tboil	563.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.85; 451.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.04520e+01
Coefficient B			7.13200e-01
Coefficient C			-3.94000e-04
Coefficient D			5.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.85	J/mol×K	273.00	Calculated Property
Cp,gas	285.77	J/mol×K	353.78	Calculated Property
Cp,gas	320.26	J/mol×K	434.56	Calculated Property
Cp,gas	350.50	J/mol×K	515.33	Calculated Property
Cp,gas	376.65	J/mol×K	596.11	Calculated Property
Cp,gas	398.88	J/mol×K	676.89	Calculated Property
Cp,gas	417.34	J/mol×K	757.67	Calculated Property
Cp,gas	432.22	J/mol×K	838.44	Calculated Property
Cp,gas	443.67	J/mol×K	919.22	Calculated Property
Cp,gas	451.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031138; 0.0001375]	Pa×s	[349.18; 604.30]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31616e+01
Coefficient B			2.58032e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.18
Temperature range, max.			604.30
η	0.0031138	Pa×s	349.18	Calculated Property
η	0.0017878	Pa×s	377.53	Calculated Property
η	0.0011092	Pa×s	405.87	Calculated Property
η	0.0007325	Pa×s	434.22	Calculated Property
η	0.0005089	Pa×s	462.56	Calculated Property
η	0.0003688	Pa×s	490.91	Calculated Property
η	0.0002768	Pa×s	519.26	Calculated Property
η	0.0002140	Pa×s	547.60	Calculated Property
η	0.0001697	Pa×s	575.95	Calculated Property
η	0.0001375	Pa×s	604.30	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2,2-dichloroethyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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