Chemical Properties of Ethanone, 1-(2,5-dimethylphenyl)-

InChI

InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3

InChI Key

AWKBVLVKQQRRFQ-UHFFFAOYSA-N

Formula

C10H12O

SMILES

CC(=O)c1cc(C)ccc1C

Molecular Weight¹

148.21

Other Names

• 1-(2,5-dimethylphenyl)ethan-1-one
• 2',5'-Dimethylacetophenone
• 2,5-(CH3)2C6H3-COCH3
• 2,5-Dimethylacetophenone
• Acetophenone, 2',5'-dimethyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.39; 399.65]	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			-4.15000e+00
Coefficient B			7.27960e-01
Coefficient C			-3.98620e-04
Coefficient D			7.44600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.39	J/mol×K	273.00	Calculated Property
Cp,gas	206.79	J/mol×K	353.78	Calculated Property
Cp,gas	243.02	J/mol×K	434.56	Calculated Property
Cp,gas	275.32	J/mol×K	515.33	Calculated Property
Cp,gas	303.92	J/mol×K	596.11	Calculated Property
Cp,gas	329.05	J/mol×K	676.89	Calculated Property
Cp,gas	350.96	J/mol×K	757.67	Calculated Property
Cp,gas	369.87	J/mol×K	838.44	Calculated Property
Cp,gas	386.02	J/mol×K	919.22	Calculated Property
Cp,gas	399.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041770; 0.0002467]	Pa×s	[255.10; 515.39]	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			-1.10804e+01
Coefficient B			1.42913e+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.			255.10
Temperature range, max.			515.39
η	0.0041770	Pa×s	255.10	Calculated Property
η	0.0023611	Pa×s	284.02	Calculated Property
η	0.0014831	Pa×s	312.94	Calculated Property
η	0.0010078	Pa×s	341.86	Calculated Property
η	0.0007274	Pa×s	370.78	Calculated Property
η	0.0005504	Pa×s	399.71	Calculated Property
η	0.0004324	Pa×s	428.63	Calculated Property
η	0.0003502	Pa×s	457.55	Calculated Property
η	0.0002909	Pa×s	486.47	Calculated Property
η	0.0002467	Pa×s	515.39	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(2,5-dimethylphenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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