Chemical Properties of 4-acetylmethylcyclohexene

InChI

InChI=1S/C9H14O/c1-8(10)7-9-5-3-2-4-6-9/h2-3,9H,4-7H2,1H3

InChI Key

MVIWJWRXINGWNY-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC(=O)CC1CC=CCC1

Molecular Weight¹

138.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.72	kJ/mol	Joback Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Inp	[1141.00; 1158.00]
Inp	1141.00		NIST
Inp	1158.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[152.74; 426.44]	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			-5.57590e+01
Coefficient B			8.96920e-01
Coefficient C			-5.15380e-04
Coefficient D			1.00660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.74	J/mol×K	273.00	Calculated Property
Cp,gas	201.50	J/mol×K	353.78	Calculated Property
Cp,gas	244.94	J/mol×K	434.56	Calculated Property
Cp,gas	283.36	J/mol×K	515.33	Calculated Property
Cp,gas	317.09	J/mol×K	596.11	Calculated Property
Cp,gas	346.44	J/mol×K	676.89	Calculated Property
Cp,gas	371.73	J/mol×K	757.67	Calculated Property
Cp,gas	393.28	J/mol×K	838.44	Calculated Property
Cp,gas	411.41	J/mol×K	919.22	Calculated Property
Cp,gas	426.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047916; 0.0002961]	Pa×s	[249.26; 483.44]	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			-1.10882e+01
Coefficient B			1.43258e+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.			249.26
Temperature range, max.			483.44
η	0.0047916	Pa×s	249.26	Calculated Property
η	0.0027832	Pa×s	275.28	Calculated Property
η	0.0017757	Pa×s	301.30	Calculated Property
η	0.0012168	Pa×s	327.32	Calculated Property
η	0.0008815	Pa×s	353.34	Calculated Property
η	0.0006675	Pa×s	379.36	Calculated Property
η	0.0005238	Pa×s	405.38	Calculated Property
η	0.0004233	Pa×s	431.40	Calculated Property
η	0.0003504	Pa×s	457.42	Calculated Property
η	0.0002961	Pa×s	483.44	Calculated Property

Similar Compounds

Find more compounds similar to 4-acetylmethylcyclohexene.

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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