Chemical Properties of Methyl .alpha.-chlorophenylacetate

InChI

InChI=1S/C9H9ClO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3

InChI Key

XOIOYHPJZJLTGK-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

COC(=O)C(Cl)c1ccccc1

Molecular Weight¹

184.62

Other Names

• Methyl chloro(phenyl)acetate
• Methyl alpha-chlorophenylacetate
• Methyl a-chlorophenylacetate

• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.58; 382.04]	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			-2.58000e+00
Coefficient B			7.37820e-01
Coefficient C			-4.26000e-04
Coefficient D			7.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.58	J/mol×K	273.00	Calculated Property
Cp,gas	208.35	J/mol×K	353.78	Calculated Property
Cp,gas	243.57	J/mol×K	434.56	Calculated Property
Cp,gas	274.47	J/mol×K	515.33	Calculated Property
Cp,gas	301.29	J/mol×K	596.11	Calculated Property
Cp,gas	324.24	J/mol×K	676.89	Calculated Property
Cp,gas	343.56	J/mol×K	757.67	Calculated Property
Cp,gas	359.48	J/mol×K	838.44	Calculated Property
Cp,gas	372.23	J/mol×K	919.22	Calculated Property
Cp,gas	382.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046046; 0.0002061]	Pa×s	[274.86; 525.54]	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			-1.18937e+01
Coefficient B			1.79016e+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.			274.86
Temperature range, max.			525.54
η	0.0046046	Pa×s	274.86	Calculated Property
η	0.0025289	Pa×s	302.71	Calculated Property
η	0.0015365	Pa×s	330.57	Calculated Property
η	0.0010087	Pa×s	358.42	Calculated Property
η	0.0007036	Pa×s	386.27	Calculated Property
η	0.0005152	Pa×s	414.13	Calculated Property
η	0.0003924	Pa×s	441.98	Calculated Property
η	0.0003086	Pa×s	469.83	Calculated Property
η	0.0002493	Pa×s	497.68	Calculated Property
η	0.0002061	Pa×s	525.54	Calculated Property

Similar Compounds

Find more compounds similar to Methyl .alpha.-chlorophenylacetate.

Sources

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

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