Chemical Properties of 2-Pentanone, 1,3-dichloro-4-methyl

InChI

InChI=1S/C6H10Cl2O/c1-4(2)6(8)5(9)3-7/h4,6H,3H2,1-2H3

InChI Key

DRUWDZQGHFIUKC-UHFFFAOYSA-N

Formula

C6H10Cl2O

SMILES

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

Molecular Weight¹

169.05

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
logPoct/wat	2.058		Crippen Calculated Property
McVol	121.450	ml/mol	McGowan Calculated Property
Inp	[1047.00; 1047.00]
Inp	1047.00		NIST
Inp	1047.00		NIST
Tboil	446.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.87; 335.51]	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			2.72110e+01
Coefficient B			5.71240e-01
Coefficient C			-3.31100e-04
Coefficient D			6.81600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.87	J/mol×K	273.00	Calculated Property
Cp,gas	190.88	J/mol×K	353.78	Calculated Property
Cp,gas	218.52	J/mol×K	434.56	Calculated Property
Cp,gas	242.99	J/mol×K	515.33	Calculated Property
Cp,gas	264.52	J/mol×K	596.11	Calculated Property
Cp,gas	283.31	J/mol×K	676.89	Calculated Property
Cp,gas	299.60	J/mol×K	757.67	Calculated Property
Cp,gas	313.58	J/mol×K	838.44	Calculated Property
Cp,gas	325.48	J/mol×K	919.22	Calculated Property
Cp,gas	335.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0080703; 0.0003337]	Pa×s	[237.15; 465.56]	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			-1.13128e+01
Coefficient B			1.53987e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			237.15
Temperature range, max.			465.56
η	0.0080703	Pa×s	237.15	Calculated Property
η	0.0043080	Pa×s	262.53	Calculated Property
η	0.0025688	Pa×s	287.91	Calculated Property
η	0.0016655	Pa×s	313.29	Calculated Property
η	0.0011524	Pa×s	338.67	Calculated Property
η	0.0008393	Pa×s	364.05	Calculated Property
η	0.0006371	Pa×s	389.43	Calculated Property
η	0.0005002	Pa×s	414.81	Calculated Property
η	0.0004038	Pa×s	440.19	Calculated Property
η	0.0003337	Pa×s	465.56	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanone, 1,3-dichloro-4-methyl.

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

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