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

InChI

InChI=1S/C11H12Cl2O2/c1-11(2,3)10(14)15-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3

InChI Key

XIRSVOKAKYHVOX-UHFFFAOYSA-N

Formula

C11H12Cl2O2

SMILES

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

Molecular Weight¹

247.12

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	3.945		Crippen Calculated Property
McVol	174.010	ml/mol	McGowan Calculated Property
Inp	[1552.00; 1552.00]
Inp	1552.00		NIST
Inp	1552.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy 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	[228.37; 488.34]	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			1.43000e+01
Coefficient B			9.35560e-01
Coefficient C			-5.89720e-04
Coefficient D			1.28200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.37	J/mol×K	273.00	Calculated Property
Cp,gas	277.15	J/mol×K	353.78	Calculated Property
Cp,gas	320.01	J/mol×K	434.56	Calculated Property
Cp,gas	357.36	J/mol×K	515.33	Calculated Property
Cp,gas	389.60	J/mol×K	596.11	Calculated Property
Cp,gas	417.13	J/mol×K	676.89	Calculated Property
Cp,gas	440.37	J/mol×K	757.67	Calculated Property
Cp,gas	459.71	J/mol×K	838.44	Calculated Property
Cp,gas	475.57	J/mol×K	919.22	Calculated Property
Cp,gas	488.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016263; 0.0001641]	Pa×s	[369.78; 593.47]	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			-1.25061e+01
Coefficient B			2.25000e+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.			369.78
Temperature range, max.			593.47
η	0.0016263	Pa×s	369.78	Calculated Property
η	0.0011086	Pa×s	394.63	Calculated Property
η	0.0007908	Pa×s	419.49	Calculated Property
η	0.0005858	Pa×s	444.34	Calculated Property
η	0.0004480	Pa×s	469.20	Calculated Property
η	0.0003520	Pa×s	494.05	Calculated Property
η	0.0002830	Pa×s	518.91	Calculated Property
η	0.0002321	Pa×s	543.76	Calculated Property
η	0.0001937	Pa×s	568.62	Calculated Property
η	0.0001641	Pa×s	593.47	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.