Chemical Properties of 2-Methylpropionic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C10H10Cl2O2/c1-6(2)10(13)14-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3

InChI Key

ZCWLUOCBBNEMPS-UHFFFAOYSA-N

Formula

C10H10Cl2O2

SMILES

CC(C)C(=O)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

233.09

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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	[208.30; 435.82]	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			3.80000e+01
Coefficient B			7.20640e-01
Coefficient C			-3.66720e-04
Coefficient D			4.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.30	J/mol×K	273.00	Calculated Property
Cp,gas	248.99	J/mol×K	353.78	Calculated Property
Cp,gas	285.51	J/mol×K	434.56	Calculated Property
Cp,gas	317.99	J/mol×K	515.33	Calculated Property
Cp,gas	346.57	J/mol×K	596.11	Calculated Property
Cp,gas	371.38	J/mol×K	676.89	Calculated Property
Cp,gas	392.58	J/mol×K	757.67	Calculated Property
Cp,gas	410.29	J/mol×K	838.44	Calculated Property
Cp,gas	424.66	J/mol×K	919.22	Calculated Property
Cp,gas	435.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019509; 0.0001885]	Pa×s	[341.09; 576.26]	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			-1.19656e+01
Coefficient B			1.95312e+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.			341.09
Temperature range, max.			576.26
η	0.0019509	Pa×s	341.09	Calculated Property
η	0.0012981	Pa×s	367.22	Calculated Property
η	0.0009117	Pa×s	393.35	Calculated Property
η	0.0006692	Pa×s	419.48	Calculated Property
η	0.0005093	Pa×s	445.61	Calculated Property
η	0.0003995	Pa×s	471.74	Calculated Property
η	0.0003215	Pa×s	497.87	Calculated Property
η	0.0002644	Pa×s	524.00	Calculated Property
η	0.0002215	Pa×s	550.13	Calculated Property
η	0.0001885	Pa×s	576.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylpropionic acid, 3,4-dichlorophenyl 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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