Chemical Properties of Benzene, 1-(chloromethyl)-3-methoxy- (CAS 824-98-6)

InChI

InChI=1S/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

InChI Key

VGISFWWEOGVMED-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

COc1cccc(CCl)c1

Molecular Weight¹

156.61

CAS

824-98-6

Other Names

• Anisole, m-(chloromethyl)-
• m-(Chloromethyl)anisole
• m-Methoxybenzyl chloride
• Toluene, «alpha»-chloro-m-methocy-
• 1-(Chloromethyl)-3-methoxybenzene
• 3-Methoxybenzyl chloride
• «alpha»-Chloro-3-methoxytoluene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.30; 337.26]	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			1.44010e+01
Coefficient B			5.69020e-01
Coefficient C			-2.84960e-04
Coefficient D			3.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.30	J/mol×K	273.00	Calculated Property
Cp,gas	181.76	J/mol×K	353.78	Calculated Property
Cp,gas	211.04	J/mol×K	434.56	Calculated Property
Cp,gas	237.27	J/mol×K	515.33	Calculated Property
Cp,gas	260.56	J/mol×K	596.11	Calculated Property
Cp,gas	281.04	J/mol×K	676.89	Calculated Property
Cp,gas	298.82	J/mol×K	757.67	Calculated Property
Cp,gas	314.04	J/mol×K	838.44	Calculated Property
Cp,gas	326.81	J/mol×K	919.22	Calculated Property
Cp,gas	337.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018210; 0.0002077]	Pa×s	[271.01; 483.38]	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			-1.12502e+01
Coefficient B			1.33929e+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.			271.01
Temperature range, max.			483.38
η	0.0018210	Pa×s	271.01	Calculated Property
η	0.0012257	Pa×s	294.61	Calculated Property
η	0.0008750	Pa×s	318.20	Calculated Property
η	0.0006543	Pa×s	341.80	Calculated Property
η	0.0005080	Pa×s	365.40	Calculated Property
η	0.0004068	Pa×s	388.99	Calculated Property
η	0.0003341	Pa×s	412.59	Calculated Property
η	0.0002803	Pa×s	436.19	Calculated Property
η	0.0002394	Pa×s	459.79	Calculated Property
η	0.0002077	Pa×s	483.38	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(chloromethyl)-3-methoxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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