Chemical Properties of (p-Methoxyphenyl)phenylmethyl chloride (CAS 6731-11-9)

InChI

InChI=1S/C14H13ClO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,1H3

InChI Key

FKRXYCHXGNKYPV-UHFFFAOYSA-N

Formula

C14H13ClO

SMILES

COc1ccc(C(Cl)c2ccccc2)cc1

Molecular Weight¹

232.71

CAS

6731-11-9

• 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.01; 528.82]	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			-2.66400e+01
Coefficient B			1.06602e+00
Coefficient C			-6.45760e-04
Coefficient D			1.35200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.01	J/mol×K	273.00	Calculated Property
Cp,gas	275.66	J/mol×K	353.78	Calculated Property
Cp,gas	325.76	J/mol×K	434.56	Calculated Property
Cp,gas	369.73	J/mol×K	515.33	Calculated Property
Cp,gas	408.00	J/mol×K	596.11	Calculated Property
Cp,gas	440.99	J/mol×K	676.89	Calculated Property
Cp,gas	469.15	J/mol×K	757.67	Calculated Property
Cp,gas	492.89	J/mol×K	838.44	Calculated Property
Cp,gas	512.63	J/mol×K	919.22	Calculated Property
Cp,gas	528.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016242; 0.0001404]	Pa×s	[350.05; 618.29]	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			-1.20662e+01
Coefficient B			1.97549e+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.			350.05
Temperature range, max.			618.29
η	0.0016242	Pa×s	350.05	Calculated Property
η	0.0010431	Pa×s	379.85	Calculated Property
η	0.0007145	Pa×s	409.66	Calculated Property
η	0.0005152	Pa×s	439.46	Calculated Property
η	0.0003872	Pa×s	469.27	Calculated Property
η	0.0003012	Pa×s	499.07	Calculated Property
η	0.0002409	Pa×s	528.88	Calculated Property
η	0.0001974	Pa×s	558.68	Calculated Property
η	0.0001650	Pa×s	588.48	Calculated Property
η	0.0001404	Pa×s	618.29	Calculated Property

Similar Compounds

Find more compounds similar to (p-Methoxyphenyl)phenylmethyl chloride.

Sources

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

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