Chemical Properties of Ethanone, 1-(2-methylcyclopropyl)-

InChI

InChI=1S/C6H10O/c1-4-3-6(4)5(2)7/h4,6H,3H2,1-2H3

InChI Key

CSEAGYCTZLEZON-UHFFFAOYSA-N

Formula

C6H10O

SMILES

CC(=O)C1CC1C

Molecular Weight¹

98.14

Other Names

• Ketone, methyl 2-methylcyclopropyl
• Methyl 2-methylcyclopropyl ketone
• 2-Methylcyclopropyl methyl ketone

• 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	[112.51; 304.29]	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			-3.95100e+01
Coefficient B			6.70240e-01
Coefficient C			-4.48700e-04
Coefficient D			1.22260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.51	J/mol×K	273.00	Calculated Property
Cp,gas	146.86	J/mol×K	353.78	Calculated Property
Cp,gas	177.05	J/mol×K	434.56	Calculated Property
Cp,gas	203.46	J/mol×K	515.33	Calculated Property
Cp,gas	226.48	J/mol×K	596.11	Calculated Property
Cp,gas	246.50	J/mol×K	676.89	Calculated Property
Cp,gas	263.90	J/mol×K	757.67	Calculated Property
Cp,gas	279.08	J/mol×K	838.44	Calculated Property
Cp,gas	292.41	J/mol×K	919.22	Calculated Property
Cp,gas	304.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008422; 0.0003993]	Pa×s	[221.01; 409.82]	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			-8.69955e+00
Coefficient B			3.58060e+02
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.			221.01
Temperature range, max.			409.82
η	0.0008422	Pa×s	221.01	Calculated Property
η	0.0007319	Pa×s	241.99	Calculated Property
η	0.0006504	Pa×s	262.97	Calculated Property
η	0.0005881	Pa×s	283.95	Calculated Property
η	0.0005393	Pa×s	304.93	Calculated Property
η	0.0005000	Pa×s	325.91	Calculated Property
η	0.0004679	Pa×s	346.89	Calculated Property
η	0.0004411	Pa×s	367.86	Calculated Property
η	0.0004185	Pa×s	388.84	Calculated Property
η	0.0003993	Pa×s	409.82	Calculated Property

Similar Compounds

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

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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