Chemical Properties of Dimethyl 2,3,4,4-tetrachloro-2-pentenedioate

InChI

InChI=1S/C7H6Cl4O4/c1-14-5(12)3(8)4(9)7(10,11)6(13)15-2/h1-2H3/b4-3+

InChI Key

SBIOMHBKZIAVLQ-ONEGZZNKSA-N

Formula

C7H6Cl4O4

SMILES

COC(=O)C(Cl)=C(Cl)C(Cl)(Cl)C(=O)OC

Molecular Weight¹

295.93

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.58	kJ/mol	Joback Calculated Property
ΔvapH°	69.87	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	169.030	ml/mol	McGowan Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	528.72	K	Relay (1.0) Calculated Property
Tfus	320.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.22; 386.95]	J/mol×K	[626.61; 852.52]
Cp,gas	348.22	J/mol×K	626.61	Joback Calculated Property
Cp,gas	356.51	J/mol×K	664.26	Joback Calculated Property
Cp,gas	364.02	J/mol×K	701.91	Joback Calculated Property
Cp,gas	370.78	J/mol×K	739.56	Joback Calculated Property
Cp,gas	376.83	J/mol×K	777.22	Joback Calculated Property
Cp,gas	382.20	J/mol×K	814.87	Joback Calculated Property
Cp,gas	386.95	J/mol×K	852.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2,3,4,4-tetrachloro-2-pentenedioate.

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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