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_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).
• 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
ΔfG°	-630.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-892.90	kJ/mol	Joback Calculated Property
ΔfusH°	25.98	kJ/mol	Joback Calculated Property
ΔvapH°	73.93	kJ/mol	Joback Calculated Property
log10WS	-1.76		Crippen Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	188.990	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1569.00; 1569.00]
Inp	1569.00		NIST
Inp	1569.00		NIST
Tboil	734.50	K	Joback Calculated Property
Tc	958.76	K	Joback Calculated Property
Tfus	466.27	K	Joback Calculated Property
Vc	0.711	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.36; 467.44]	J/mol×K	[734.50; 958.76]
Cp,gas	429.36	J/mol×K	734.50	Joback Calculated Property
Cp,gas	437.52	J/mol×K	771.88	Joback Calculated Property
Cp,gas	444.93	J/mol×K	809.25	Joback Calculated Property
Cp,gas	451.62	J/mol×K	846.63	Joback Calculated Property
Cp,gas	457.58	J/mol×K	884.01	Joback Calculated Property
Cp,gas	462.85	J/mol×K	921.39	Joback Calculated Property
Cp,gas	467.44	J/mol×K	958.76	Joback Calculated Property
η	[0.0001116; 0.0012145]	Pa×s	[466.27; 734.50]
η	0.0012145	Pa×s	466.27	Joback Calculated Property
η	0.0006855	Pa×s	510.97	Joback Calculated Property
η	0.0004243	Pa×s	555.68	Joback Calculated Property
η	0.0002820	Pa×s	600.38	Joback Calculated Property
η	0.0001984	Pa×s	645.09	Joback Calculated Property
η	0.0001460	Pa×s	689.80	Joback Calculated Property
η	0.0001116	Pa×s	734.50	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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