Chemical Properties of Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)- (CAS 43219-68-7)

InChI

InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3

InChI Key

BIUSXTISNNLMOR-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC(=O)C1(C)CC=C(C)CC1

Molecular Weight¹

152.23

CAS

43219-68-7

Other Names

• 1,4-Dimethyl-«delta»-3-tetrahydroacetophenone
• 1,4-Dimethyl-3-cyclohexenyl methyl ketone
• 1-(1,4-Dimethyl-3-cyclohexen-1-yl)ethanone
• 1,4-Dimethyl-cyclohex-3-enyl methyl ketone
• 1,4-Dimethyl-4-acetyl-1-cyclohexene
• 1,4-Dimethyl-4-acetylcyclohexene
• 1-(1,4-Dimethyl)-3-cyclohexen-1-el)ethanone
• 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.62	kJ/mol	Joback Calculated Property
ΔvapH°	54.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1126.00; 1156.00]
Inp	1126.00		NIST
Inp	1145.00		NIST
Inp	1152.00		NIST
Inp	1127.00		NIST
Inp	1156.00		NIST
Inp	1145.00		NIST
Ip	[1491.00; 1530.00]
Ip	1504.00		NIST
Ip	1530.00		NIST
Ip	1491.00		NIST
Ip	1505.00		NIST
Ip	1530.00		NIST
Ip	1504.00		NIST
Ip	1491.00		NIST
Tboil	477.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[172.57; 482.32]	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			-9.23600e+01
Coefficient B			1.22436e+00
Coefficient C			-1.03534e-03
Coefficient D			3.85660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.57	J/mol×K	273.00	Calculated Property
Cp,gas	228.29	J/mol×K	353.78	Calculated Property
Cp,gas	275.83	J/mol×K	434.56	Calculated Property
Cp,gas	316.42	J/mol×K	515.33	Calculated Property
Cp,gas	351.28	J/mol×K	596.11	Calculated Property
Cp,gas	381.63	J/mol×K	676.89	Calculated Property
Cp,gas	408.69	J/mol×K	757.67	Calculated Property
Cp,gas	433.68	J/mol×K	838.44	Calculated Property
Cp,gas	457.82	J/mol×K	919.22	Calculated Property
Cp,gas	482.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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