Chemical Properties of o-Toluic acid, 3-chloropen-2-enyl ester

InChI

InChI=1S/C11H11ClO2/c1-9-5-2-3-6-10(9)11(13)14-8-4-7-12/h2-7H,8H2,1H3/b7-4+

InChI Key

MKXZDOUAKCYRJS-QPJJXVBHSA-N

Formula

C11H11ClO2

SMILES

Cc1ccccc1C(=O)OCC=CCl

Molecular Weight¹

210.66

Other Names

• o-Toluylic acid, 3-chloropen-2-enyl ester

• 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).
• 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 Volume, 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	[199.87; 451.06]	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			-2.59900e+00
Coefficient B			8.82420e-01
Coefficient C			-5.48360e-04
Coefficient D			1.19600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.87	J/mol×K	273.00	Calculated Property
Cp,gas	246.25	J/mol×K	353.78	Calculated Property
Cp,gas	287.12	J/mol×K	434.56	Calculated Property
Cp,gas	322.88	J/mol×K	515.33	Calculated Property
Cp,gas	353.90	J/mol×K	596.11	Calculated Property
Cp,gas	380.55	J/mol×K	676.89	Calculated Property
Cp,gas	403.21	J/mol×K	757.67	Calculated Property
Cp,gas	422.26	J/mol×K	838.44	Calculated Property
Cp,gas	438.09	J/mol×K	919.22	Calculated Property
Cp,gas	451.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020607; 0.0001659]	Pa×s	[319.84; 562.99]	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			-1.20178e+01
Coefficient B			1.86564e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			319.84
Temperature range, max.			562.99
η	0.0020607	Pa×s	319.84	Calculated Property
η	0.0013083	Pa×s	346.86	Calculated Property
η	0.0008870	Pa×s	373.87	Calculated Property
η	0.0006337	Pa×s	400.89	Calculated Property
η	0.0004723	Pa×s	427.91	Calculated Property
η	0.0003646	Pa×s	454.92	Calculated Property
η	0.0002897	Pa×s	481.94	Calculated Property
η	0.0002359	Pa×s	508.95	Calculated Property
η	0.0001961	Pa×s	535.97	Calculated Property
η	0.0001659	Pa×s	562.99	Calculated Property

Similar Compounds

Find more compounds similar to o-Toluic acid, 3-chloropen-2-enyl ester.

Sources

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

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