Chemical Properties of Benzene, 1-(chloromethyl)-3-phenoxy- (CAS 53874-66-1)

InChI

InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2

InChI Key

QUYVTGFWFHQVRO-UHFFFAOYSA-N

Formula

C13H11ClO

SMILES

ClCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

218.68

CAS

53874-66-1

Other Names

• 1-(chloromethyl)-3-phenoxybenzene

• ω : Acentric Factor.
• 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 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	[198.11; 476.69]	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			-2.40490e+01
Coefficient B			9.65100e-01
Coefficient C			-5.88160e-04
Coefficient D			1.23800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.11	J/mol×K	273.00	Calculated Property
Cp,gas	249.25	J/mol×K	353.78	Calculated Property
Cp,gas	294.43	J/mol×K	434.56	Calculated Property
Cp,gas	334.05	J/mol×K	515.33	Calculated Property
Cp,gas	368.48	J/mol×K	596.11	Calculated Property
Cp,gas	398.13	J/mol×K	676.89	Calculated Property
Cp,gas	423.38	J/mol×K	757.67	Calculated Property
Cp,gas	444.63	J/mol×K	838.44	Calculated Property
Cp,gas	462.27	J/mol×K	919.22	Calculated Property
Cp,gas	476.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013816; 0.0001607]	Pa×s	[353.78; 602.61]	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			-1.17954e+01
Coefficient B			1.84351e+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.			353.78
Temperature range, max.			602.61
η	0.0013816	Pa×s	353.78	Calculated Property
η	0.0009470	Pa×s	381.43	Calculated Property
η	0.0006831	Pa×s	409.08	Calculated Property
η	0.0005136	Pa×s	436.72	Calculated Property
η	0.0003994	Pa×s	464.37	Calculated Property
η	0.0003196	Pa×s	492.02	Calculated Property
η	0.0002618	Pa×s	519.67	Calculated Property
η	0.0002189	Pa×s	547.31	Calculated Property
η	0.0001861	Pa×s	574.96	Calculated Property
η	0.0001607	Pa×s	602.61	Calculated Property

Similar Compounds

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

Sources

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

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