Chemical Properties of 2-Chloropropionic acid, 3-methylphenyl ester

InChI

InChI=1S/C10H11ClO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3

InChI Key

PAAIIYQEPLSEAS-UHFFFAOYSA-N

Formula

C10H11ClO2

SMILES

Cc1cccc(OC(=O)C(C)Cl)c1

Molecular Weight¹

198.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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 formation at standard conditions, 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	[192.34; 430.59]	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			1.08100e+01
Coefficient B			7.73340e-01
Coefficient C			-4.13360e-04
Coefficient D			5.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.34	J/mol×K	273.00	Calculated Property
Cp,gas	235.31	J/mol×K	353.78	Calculated Property
Cp,gas	273.72	J/mol×K	434.56	Calculated Property
Cp,gas	307.75	J/mol×K	515.33	Calculated Property
Cp,gas	337.59	J/mol×K	596.11	Calculated Property
Cp,gas	363.43	J/mol×K	676.89	Calculated Property
Cp,gas	385.46	J/mol×K	757.67	Calculated Property
Cp,gas	403.87	J/mol×K	838.44	Calculated Property
Cp,gas	418.85	J/mol×K	919.22	Calculated Property
Cp,gas	430.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030652; 0.0001935]	Pa×s	[298.65; 543.05]	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			-1.19255e+01
Coefficient B			1.83306e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			298.65
Temperature range, max.			543.05
η	0.0030652	Pa×s	298.65	Calculated Property
η	0.0018377	Pa×s	325.81	Calculated Property
η	0.0011920	Pa×s	352.96	Calculated Property
η	0.0008225	Pa×s	380.12	Calculated Property
η	0.0005964	Pa×s	407.27	Calculated Property
η	0.0004501	Pa×s	434.43	Calculated Property
η	0.0003512	Pa×s	461.59	Calculated Property
η	0.0002816	Pa×s	488.74	Calculated Property
η	0.0002312	Pa×s	515.90	Calculated Property
η	0.0001935	Pa×s	543.05	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloropropionic 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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