Chemical Properties of Dimethyl 1,3,3,3-tetrachloro-2-oxopropylmalonate

InChI

InChI=1S/C8H8Cl4O5/c1-16-6(14)3(7(15)17-2)4(9)5(13)8(10,11)12/h3-4H,1-2H3

InChI Key

QGVYOOAIJUVSHJ-UHFFFAOYSA-N

Formula

C8H8Cl4O5

SMILES

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

Molecular Weight¹

325.96

• 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).
• 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°	29.14	kJ/mol	Joback Calculated Property
ΔvapH°	80.15	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	188.990	ml/mol	McGowan Calculated Property
Inp	[1569.00; 1569.00]
Inp	1569.00		NIST
Inp	1569.00		NIST
Tboil	543.05	K	Relay (1.0) Calculated Property
Tfus	344.53	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	[427.09; 465.75]	J/mol×K	[698.56; 919.31]
Cp,gas	427.09	J/mol×K	698.56	Joback Calculated Property
Cp,gas	435.59	J/mol×K	735.35	Joback Calculated Property
Cp,gas	443.24	J/mol×K	772.14	Joback Calculated Property
Cp,gas	450.06	J/mol×K	808.93	Joback Calculated Property
Cp,gas	456.07	J/mol×K	845.73	Joback Calculated Property
Cp,gas	461.30	J/mol×K	882.52	Joback Calculated Property
Cp,gas	465.75	J/mol×K	919.31	Joback Calculated Property
η	[0.0000927; 0.0022232]	Pa×s	[406.61; 698.56]
η	0.0022232	Pa×s	406.61	Joback Calculated Property
η	0.0009866	Pa×s	455.27	Joback Calculated Property
η	0.0005122	Pa×s	503.93	Joback Calculated Property
η	0.0002985	Pa×s	552.59	Joback Calculated Property
η	0.0001898	Pa×s	601.24	Joback Calculated Property
η	0.0001292	Pa×s	649.90	Joback Calculated Property
η	0.0000927	Pa×s	698.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 1,3,3,3-tetrachloro-2-oxopropylmalonate.

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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