Chemical Properties of Diethylmalonyl dichloride (CAS 54505-72-5)

InChI

InChI=1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3

InChI Key

FWKCXFPQSXNCBW-UHFFFAOYSA-N

Formula

C7H10Cl2O2

SMILES

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

Molecular Weight¹

197.06

CAS

54505-72-5

• 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).
• IE : Ionization energy (eV).
• 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°	18.06	kJ/mol	Joback Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
logPoct/wat	2.324		Crippen Calculated Property
McVol	137.110	ml/mol	McGowan Calculated Property
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	467.34	K	Relay (1.0) Calculated Property
Tfus	294.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[181.18; 376.51]	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			1.25520e+01
Coefficient B			7.52240e-01
Coefficient C			-5.32200e-04
Coefficient D			1.43920e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.18	J/mol×K	273.00	Calculated Property
Cp,gas	218.44	J/mol×K	353.78	Calculated Property
Cp,gas	250.75	J/mol×K	434.56	Calculated Property
Cp,gas	278.57	J/mol×K	515.33	Calculated Property
Cp,gas	302.34	J/mol×K	596.11	Calculated Property
Cp,gas	322.53	J/mol×K	676.89	Calculated Property
Cp,gas	339.58	J/mol×K	757.67	Calculated Property
Cp,gas	353.96	J/mol×K	838.44	Calculated Property
Cp,gas	366.12	J/mol×K	919.22	Calculated Property
Cp,gas	376.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037254; 0.0003785]	Pa×s	[330.77; 524.91]	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			-1.17755e+01
Coefficient B			2.04512e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.77
Temperature range, max.			524.91
η	0.0037254	Pa×s	330.77	Calculated Property
η	0.0025514	Pa×s	352.34	Calculated Property
η	0.0018254	Pa×s	373.91	Calculated Property
η	0.0013545	Pa×s	395.48	Calculated Property
η	0.0010366	Pa×s	417.05	Calculated Property
η	0.0008145	Pa×s	438.63	Calculated Property
η	0.0006546	Pa×s	460.20	Calculated Property
η	0.0005365	Pa×s	481.77	Calculated Property
η	0.0004473	Pa×s	503.34	Calculated Property
η	0.0003785	Pa×s	524.91	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonyl dichloride.

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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