Chemical Properties of Anisole, 2,4-bis(chloromethyl)- (CAS 25445-34-5)

InChI

InChI=1S/C9H10Cl2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5-6H2,1H3

InChI Key

ZBQXEAIGIXABOB-UHFFFAOYSA-N

Formula

C9H10Cl2O

SMILES

COc1ccc(CCl)cc1CCl

Molecular Weight¹

205.08

CAS

25445-34-5

• 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).
• 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, 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	[186.46; 394.08]	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			4.06820e+01
Coefficient B			6.11320e-01
Coefficient C			-2.92720e-04
Coefficient D			3.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.46	J/mol×K	273.00	Calculated Property
Cp,gas	221.86	J/mol×K	353.78	Calculated Property
Cp,gas	253.91	J/mol×K	434.56	Calculated Property
Cp,gas	282.74	J/mol×K	515.33	Calculated Property
Cp,gas	308.45	J/mol×K	596.11	Calculated Property
Cp,gas	331.15	J/mol×K	676.89	Calculated Property
Cp,gas	350.96	J/mol×K	757.67	Calculated Property
Cp,gas	367.97	J/mol×K	838.44	Calculated Property
Cp,gas	382.31	J/mol×K	919.22	Calculated Property
Cp,gas	394.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013666; 0.0002129]	Pa×s	[324.72; 531.10]	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			-1.13796e+01
Coefficient B			1.55351e+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.			324.72
Temperature range, max.			531.10
η	0.0013666	Pa×s	324.72	Calculated Property
η	0.0009968	Pa×s	347.65	Calculated Property
η	0.0007560	Pa×s	370.58	Calculated Property
η	0.0005921	Pa×s	393.51	Calculated Property
η	0.0004764	Pa×s	416.45	Calculated Property
η	0.0003921	Pa×s	439.38	Calculated Property
η	0.0003291	Pa×s	462.31	Calculated Property
η	0.0002807	Pa×s	485.24	Calculated Property
η	0.0002430	Pa×s	508.17	Calculated Property
η	0.0002129	Pa×s	531.10	Calculated Property

Similar Compounds

Find more compounds similar to Anisole, 2,4-bis(chloromethyl)-.

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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