Chemical Properties of Anisole, p(«alpha»-chloro-p-methylbenzyl)- (CAS 7525-21-5)

InChI

InChI=1S/C15H15ClO/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10,15H,1-2H3

InChI Key

DTTHPHQAGIFHQE-UHFFFAOYSA-N

Formula

C15H15ClO

SMILES

COc1ccc(C(Cl)c2ccc(C)cc2)cc1

Molecular Weight¹

246.73

CAS

7525-21-5

• ω : Acentric Factor.
• 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_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_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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[242.77; 577.37]	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			-1.32500e+01
Coefficient B			1.10154e+00
Coefficient C			-6.33120e-04
Coefficient D			1.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.77	J/mol×K	273.00	Calculated Property
Cp,gas	302.62	J/mol×K	353.78	Calculated Property
Cp,gas	355.90	J/mol×K	434.56	Calculated Property
Cp,gas	403.00	J/mol×K	515.33	Calculated Property
Cp,gas	444.30	J/mol×K	596.11	Calculated Property
Cp,gas	480.19	J/mol×K	676.89	Calculated Property
Cp,gas	511.05	J/mol×K	757.67	Calculated Property
Cp,gas	537.28	J/mol×K	838.44	Calculated Property
Cp,gas	559.26	J/mol×K	919.22	Calculated Property
Cp,gas	577.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012143; 0.0001320]	Pa×s	[373.84; 634.72]	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			-1.21127e+01
Coefficient B			2.01839e+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.			373.84
Temperature range, max.			634.72
η	0.0012143	Pa×s	373.84	Calculated Property
η	0.0008234	Pa×s	402.83	Calculated Property
η	0.0005882	Pa×s	431.81	Calculated Property
η	0.0004383	Pa×s	460.80	Calculated Property
η	0.0003383	Pa×s	489.79	Calculated Property
η	0.0002687	Pa×s	518.77	Calculated Property
η	0.0002187	Pa×s	547.76	Calculated Property
η	0.0001817	Pa×s	576.75	Calculated Property
η	0.0001537	Pa×s	605.73	Calculated Property
η	0.0001320	Pa×s	634.72	Calculated Property

Similar Compounds

Find more compounds similar to Anisole, p(«alpha»-chloro-p-methylbenzyl)-.

Sources

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

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