Chemical Properties of 1-Methyl-4-(1-methylethyl)-2,3-bis(chloromethyl)benzene

InChI

InChI=1S/C12H16Cl2/c1-8(2)10-5-4-9(3)11(6-13)12(10)7-14/h4-5,8H,6-7H2,1-3H3

InChI Key

MBKXFZDCNSTKSD-UHFFFAOYSA-N

Formula

C12H16Cl2

SMILES

Cc1ccc(C(C)C)c(CCl)c1CCl

Molecular Weight¹

231.16

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.58	kJ/mol	Joback Calculated Property
logPoct/wat	4.596		Crippen Calculated Property
McVol	180.660	ml/mol	McGowan Calculated Property
Inp	[1670.00; 1670.00]
Inp	1670.00		NIST
Inp	1670.00		NIST
Tboil	561.33	K	Relay (1.0) Calculated Property
Tfus	322.03	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, 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	[236.94; 527.85]	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			2.50720e+01
Coefficient B			9.05960e-01
Coefficient C			-5.03080e-04
Coefficient D			9.99000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.94	J/mol×K	273.00	Calculated Property
Cp,gas	287.04	J/mol×K	353.78	Calculated Property
Cp,gas	331.96	J/mol×K	434.56	Calculated Property
Cp,gas	372.01	J/mol×K	515.33	Calculated Property
Cp,gas	407.52	J/mol×K	596.11	Calculated Property
Cp,gas	438.79	J/mol×K	676.89	Calculated Property
Cp,gas	466.14	J/mol×K	757.67	Calculated Property
Cp,gas	489.89	J/mol×K	838.44	Calculated Property
Cp,gas	510.36	J/mol×K	919.22	Calculated Property
Cp,gas	527.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016337; 0.0002038]	Pa×s	[333.82; 564.48]	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			-1.15109e+01
Coefficient B			1.70046e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.82
Temperature range, max.			564.48
η	0.0016337	Pa×s	333.82	Calculated Property
η	0.0011361	Pa×s	359.45	Calculated Property
η	0.0008293	Pa×s	385.08	Calculated Property
η	0.0006295	Pa×s	410.71	Calculated Property
η	0.0004936	Pa×s	436.34	Calculated Property
η	0.0003976	Pa×s	461.97	Calculated Property
η	0.0003277	Pa×s	487.59	Calculated Property
η	0.0002753	Pa×s	513.22	Calculated Property
η	0.0002352	Pa×s	538.85	Calculated Property
η	0.0002038	Pa×s	564.48	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-4-(1-methylethyl)-2,3-bis(chloromethyl)benzene.

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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