Chemical Properties of 2-Chloromethyl-1,3-dichloro-2-methylpropane (CAS 1067-09-0)

InChI

InChI=1S/C5H9Cl3/c1-5(2-6,3-7)4-8/h2-4H2,1H3

InChI Key

BYXOMFFBGDPXHB-UHFFFAOYSA-N

Formula

C5H9Cl3O

SMILES

CC(CCl)(CCl)CCl

Molecular Weight¹

191.48

CAS

1067-09-0

Other Names

• 2-Chloromethyl-2-methyl-1,3-dichloropropane

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.31; 303.56]	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			1.25430e+01
Coefficient B			6.25020e-01
Coefficient C			-4.81200e-04
Coefficient D			1.47200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.31	J/mol×K	273.00	Calculated Property
Cp,gas	179.95	J/mol×K	353.78	Calculated Property
Cp,gas	205.36	J/mol×K	434.56	Calculated Property
Cp,gas	226.99	J/mol×K	515.33	Calculated Property
Cp,gas	245.31	J/mol×K	596.11	Calculated Property
Cp,gas	260.79	J/mol×K	676.89	Calculated Property
Cp,gas	273.89	J/mol×K	757.67	Calculated Property
Cp,gas	285.07	J/mol×K	838.44	Calculated Property
Cp,gas	294.81	J/mol×K	919.22	Calculated Property
Cp,gas	303.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064698; 0.0003446]	Pa×s	[238.29; 437.24]	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			-1.14854e+01
Coefficient B			1.53574e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			238.29
Temperature range, max.			437.24
η	0.0064698	Pa×s	238.29	Calculated Property
η	0.0037436	Pa×s	260.40	Calculated Property
η	0.0023598	Pa×s	282.50	Calculated Property
η	0.0015905	Pa×s	304.61	Calculated Property
η	0.0011308	Pa×s	326.71	Calculated Property
η	0.0008395	Pa×s	348.82	Calculated Property
η	0.0006458	Pa×s	370.92	Calculated Property
η	0.0005116	Pa×s	393.03	Calculated Property
η	0.0004155	Pa×s	415.13	Calculated Property
η	0.0003446	Pa×s	437.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloromethyl-1,3-dichloro-2-methylpropane.

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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