Chemical Properties of 1-Propanone, 2-chloro-1-(2,5-dimethylphenyl)-2-methyl- (CAS 54965-52-5)

InChI

InChI=1S/C12H15ClO/c1-8-5-6-9(2)10(7-8)11(14)12(3,4)13/h5-7H,1-4H3

InChI Key

VXXAHSALZMCFQS-UHFFFAOYSA-N

Formula

C12H15ClO

SMILES

Cc1ccc(C)c(C(=O)C(C)(C)Cl)c1

Molecular Weight¹

210.70

CAS

54965-52-5

Other Names

• 2-Chloro-1-(2,5-dimethylphenyl)-2-methyl-1-propanone

• 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).
• 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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[220.76; 512.57]	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			-1.75500e+01
Coefficient B			1.05058e+00
Coefficient C			-6.99620e-04
Coefficient D			1.79160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.76	J/mol×K	273.00	Calculated Property
Cp,gas	274.49	J/mol×K	353.78	Calculated Property
Cp,gas	321.57	J/mol×K	434.56	Calculated Property
Cp,gas	362.57	J/mol×K	515.33	Calculated Property
Cp,gas	398.05	J/mol×K	596.11	Calculated Property
Cp,gas	428.59	J/mol×K	676.89	Calculated Property
Cp,gas	454.74	J/mol×K	757.67	Calculated Property
Cp,gas	477.08	J/mol×K	838.44	Calculated Property
Cp,gas	496.17	J/mol×K	919.22	Calculated Property
Cp,gas	512.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018407; 0.0002147]	Pa×s	[358.73; 578.42]	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			-1.19545e+01
Coefficient B			2.02931e+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.			358.73
Temperature range, max.			578.42
η	0.0018407	Pa×s	358.73	Calculated Property
η	0.0012837	Pa×s	383.14	Calculated Property
η	0.0009347	Pa×s	407.55	Calculated Property
η	0.0007055	Pa×s	431.96	Calculated Property
η	0.0005487	Pa×s	456.37	Calculated Property
η	0.0004378	Pa×s	480.78	Calculated Property
η	0.0003571	Pa×s	505.19	Calculated Property
η	0.0002967	Pa×s	529.60	Calculated Property
η	0.0002506	Pa×s	554.01	Calculated Property
η	0.0002147	Pa×s	578.42	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanone, 2-chloro-1-(2,5-dimethylphenyl)-2-methyl-.

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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