Chemical Properties of Chloroacetic acid, 3-methylphenyl ester

InChI

InChI=1S/C9H9ClO2/c1-7-3-2-4-8(5-7)12-9(11)6-10/h2-5H,6H2,1H3

InChI Key

CEYGBRILXUZJEF-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

Cc1cccc(OC(=O)CCl)c1

Molecular Weight¹

184.62

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[171.44; 378.46]	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			1.34010e+01
Coefficient B			6.72420e-01
Coefficient C			-3.55760e-04
Coefficient D			4.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.44	J/mol×K	273.00	Calculated Property
Cp,gas	208.90	J/mol×K	353.78	Calculated Property
Cp,gas	242.40	J/mol×K	434.56	Calculated Property
Cp,gas	272.07	J/mol×K	515.33	Calculated Property
Cp,gas	298.07	J/mol×K	596.11	Calculated Property
Cp,gas	320.56	J/mol×K	676.89	Calculated Property
Cp,gas	339.70	J/mol×K	757.67	Calculated Property
Cp,gas	355.62	J/mol×K	838.44	Calculated Property
Cp,gas	368.49	J/mol×K	919.22	Calculated Property
Cp,gas	378.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023814; 0.0002170]	Pa×s	[302.38; 526.63]	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			-1.16657e+01
Coefficient B			1.70108e+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.			302.38
Temperature range, max.			526.63
η	0.0023814	Pa×s	302.38	Calculated Property
η	0.0015518	Pa×s	327.30	Calculated Property
η	0.0010744	Pa×s	352.21	Calculated Property
η	0.0007809	Pa×s	377.13	Calculated Property
η	0.0005904	Pa×s	402.05	Calculated Property
η	0.0004612	Pa×s	426.97	Calculated Property
η	0.0003703	Pa×s	451.88	Calculated Property
η	0.0003042	Pa×s	476.80	Calculated Property
η	0.0002548	Pa×s	501.72	Calculated Property
η	0.0002170	Pa×s	526.63	Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 3-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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