Chemical Properties of Acetyl chloride, phenoxy- (CAS 701-99-5)

InChI

InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2

InChI Key

PKUPAJQAJXVUEK-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

O=C(Cl)COc1ccccc1

Molecular Weight¹

170.59

CAS

701-99-5

Other Names

• Phenoxyacetyl chloride
• Phenyloxyacetyl chloride

• 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	[147.67; 329.32]	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			7.46100e+00
Coefficient B			6.00500e-01
Coefficient C			-3.33300e-04
Coefficient D			5.46600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.67	J/mol×K	273.00	Calculated Property
Cp,gas	180.61	J/mol×K	353.78	Calculated Property
Cp,gas	209.96	J/mol×K	434.56	Calculated Property
Cp,gas	235.89	J/mol×K	515.33	Calculated Property
Cp,gas	258.57	J/mol×K	596.11	Calculated Property
Cp,gas	278.17	J/mol×K	676.89	Calculated Property
Cp,gas	294.88	J/mol×K	757.67	Calculated Property
Cp,gas	308.86	J/mol×K	838.44	Calculated Property
Cp,gas	320.28	J/mol×K	919.22	Calculated Property
Cp,gas	329.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022365; 0.0002525]	Pa×s	[308.42; 523.67]	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			-1.14097e+01
Coefficient B			1.63674e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.42
Temperature range, max.			523.67
η	0.0022365	Pa×s	308.42	Calculated Property
η	0.0015265	Pa×s	332.34	Calculated Property
η	0.0010968	Pa×s	356.25	Calculated Property
η	0.0008215	Pa×s	380.17	Calculated Property
η	0.0006367	Pa×s	404.09	Calculated Property
η	0.0005077	Pa×s	428.00	Calculated Property
η	0.0004147	Pa×s	451.92	Calculated Property
η	0.0003457	Pa×s	475.84	Calculated Property
η	0.0002932	Pa×s	499.75	Calculated Property
η	0.0002525	Pa×s	523.67	Calculated Property

Similar Compounds

Find more compounds similar to Acetyl chloride, phenoxy-.

Sources

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

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