Chemical Properties of Dimethylmalonyl chloride (CAS 5659-93-8)

InChI

InChI=1S/C5H6Cl2O2/c1-5(2,3(6)8)4(7)9/h1-2H3

InChI Key

CJXQAYQWVNXIQE-UHFFFAOYSA-N

Formula

C5H6Cl2O2

SMILES

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

Molecular Weight¹

169.01

CAS

5659-93-8

• 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).
• 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

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.75; 273.33]	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			1.43700e+01
Coefficient B			5.62240e-01
Coefficient C			-4.23400e-04
Coefficient D			1.20120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.75	J/mol×K	273.00	Calculated Property
Cp,gas	165.60	J/mol×K	353.78	Calculated Property
Cp,gas	188.60	J/mol×K	434.56	Calculated Property
Cp,gas	208.11	J/mol×K	515.33	Calculated Property
Cp,gas	224.52	J/mol×K	596.11	Calculated Property
Cp,gas	238.20	J/mol×K	676.89	Calculated Property
Cp,gas	249.55	J/mol×K	757.67	Calculated Property
Cp,gas	258.93	J/mol×K	838.44	Calculated Property
Cp,gas	266.73	J/mol×K	919.22	Calculated Property
Cp,gas	273.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040583; 0.0004096]	Pa×s	[308.23; 497.72]	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			-1.15311e+01
Coefficient B			1.85680e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.23
Temperature range, max.			497.72
η	0.0040583	Pa×s	308.23	Calculated Property
η	0.0027610	Pa×s	329.28	Calculated Property
η	0.0019674	Pa×s	350.34	Calculated Property
η	0.0014568	Pa×s	371.39	Calculated Property
η	0.0011141	Pa×s	392.45	Calculated Property
η	0.0008756	Pa×s	413.50	Calculated Property
η	0.0007044	Pa×s	434.55	Calculated Property
η	0.0005782	Pa×s	455.61	Calculated Property
η	0.0004829	Pa×s	476.66	Calculated Property
η	0.0004096	Pa×s	497.72	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonyl chloride.

Sources

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

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