Chemical Properties of (2,5-Dimethoxyphenyl)acetone (CAS 14293-24-4)

InChI

InChI=1S/C11H14O3/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7H,6H2,1-3H3

InChI Key

RUCPISZJMCQMPY-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

COc1ccc(OC)c(CC(C)=O)c1

Molecular Weight¹

194.23

CAS

14293-24-4

Other Names

• 2-Propanone, (2,5-dimethoxy)phenyl-
• 2-Propanone, 1-(2,5-dimethoxyphenyl)-

• 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).
• 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).
• 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 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	[218.41; 488.24]	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			4.59410e+01
Coefficient B			6.96560e-01
Coefficient C			-2.31020e-04
Coefficient D			-2.32400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.41	J/mol×K	273.00	Calculated Property
Cp,gas	262.43	J/mol×K	353.78	Calculated Property
Cp,gas	303.10	J/mol×K	434.56	Calculated Property
Cp,gas	340.37	J/mol×K	515.33	Calculated Property
Cp,gas	374.15	J/mol×K	596.11	Calculated Property
Cp,gas	404.38	J/mol×K	676.89	Calculated Property
Cp,gas	430.97	J/mol×K	757.67	Calculated Property
Cp,gas	453.87	J/mol×K	838.44	Calculated Property
Cp,gas	472.98	J/mol×K	919.22	Calculated Property
Cp,gas	488.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010431; 0.0001826]	Pa×s	[359.58; 557.05]	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			-1.17810e+01
Coefficient B			1.76747e+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.			359.58
Temperature range, max.			557.05
η	0.0010431	Pa×s	359.58	Calculated Property
η	0.0007862	Pa×s	381.52	Calculated Property
η	0.0006111	Pa×s	403.46	Calculated Property
η	0.0004875	Pa×s	425.40	Calculated Property
η	0.0003977	Pa×s	447.34	Calculated Property
η	0.0003306	Pa×s	469.29	Calculated Property
η	0.0002794	Pa×s	491.23	Calculated Property
η	0.0002396	Pa×s	513.17	Calculated Property
η	0.0002080	Pa×s	535.11	Calculated Property
η	0.0001826	Pa×s	557.05	Calculated Property

Similar Compounds

Find more compounds similar to (2,5-Dimethoxyphenyl)acetone.

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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