Chemical Properties of Alpha-chloroaceto-mesitylene

InChI

InChI=1S/C11H13ClO/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5H,6H2,1-3H3

InChI Key

ALJRYGQLPCEFKO-UHFFFAOYSA-N

Formula

C11H13ClO

SMILES

Cc1cc(C)c(C(=O)CCl)c(C)c1

Molecular Weight¹

196.68

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[203.56; 456.47]	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			2.21310e+01
Coefficient B			7.70260e-01
Coefficient C			-4.06380e-04
Coefficient D			7.04600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.56	J/mol×K	273.00	Calculated Property
Cp,gas	246.89	J/mol×K	353.78	Calculated Property
Cp,gas	285.89	J/mol×K	434.56	Calculated Property
Cp,gas	320.79	J/mol×K	515.33	Calculated Property
Cp,gas	351.81	J/mol×K	596.11	Calculated Property
Cp,gas	379.17	J/mol×K	676.89	Calculated Property
Cp,gas	403.09	J/mol×K	757.67	Calculated Property
Cp,gas	423.80	J/mol×K	838.44	Calculated Property
Cp,gas	441.52	J/mol×K	919.22	Calculated Property
Cp,gas	456.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013598; 0.0002551]	Pa×s	[357.56; 562.28]	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			-1.11964e+01
Coefficient B			1.64335e+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.			357.56
Temperature range, max.			562.28
η	0.0013598	Pa×s	357.56	Calculated Property
η	0.0010330	Pa×s	380.31	Calculated Property
η	0.0008094	Pa×s	403.05	Calculated Property
η	0.0006510	Pa×s	425.80	Calculated Property
η	0.0005353	Pa×s	448.55	Calculated Property
η	0.0004485	Pa×s	471.29	Calculated Property
η	0.0003820	Pa×s	494.04	Calculated Property
η	0.0003300	Pa×s	516.79	Calculated Property
η	0.0002886	Pa×s	539.54	Calculated Property
η	0.0002551	Pa×s	562.28	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-chloroaceto-mesitylene.

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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