Chemical Properties of Cyclohexanone, 2-(2-propenyl)- (CAS 94-66-6)

InChI

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

InChI Key

UPGHEUSRLZSXAE-UHFFFAOYSA-N

Formula

C9H14O

SMILES

C=CCC1CCCCC1=O

Molecular Weight¹

138.21

CAS

94-66-6

Other Names

• 2-Allylcyclohexanone
• 2-allylcyclohexan-1-one
• Cyclohexanone, 2-allyl-

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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 formation 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	[154.85; 439.34]	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			-3.74590e+01
Coefficient B			7.92600e-01
Coefficient C			-3.25700e-04
Coefficient D			9.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.85	J/mol×K	273.00	Calculated Property
Cp,gas	202.62	J/mol×K	353.78	Calculated Property
Cp,gas	246.28	J/mol×K	434.56	Calculated Property
Cp,gas	285.85	J/mol×K	515.33	Calculated Property
Cp,gas	321.38	J/mol×K	596.11	Calculated Property
Cp,gas	352.88	J/mol×K	676.89	Calculated Property
Cp,gas	380.40	J/mol×K	757.67	Calculated Property
Cp,gas	403.96	J/mol×K	838.44	Calculated Property
Cp,gas	423.60	J/mol×K	919.22	Calculated Property
Cp,gas	439.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[353.96; 498.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50706e+01
Coefficient B			-4.14555e+03
Coefficient C			-7.35340e+01
Temperature range, min.			353.96
Temperature range, max.			498.32
Pvap	1.33	kPa	353.96	Calculated Property
Pvap	2.97	kPa	370.00	Calculated Property
Pvap	6.08	kPa	386.04	Calculated Property
Pvap	11.62	kPa	402.08	Calculated Property
Pvap	20.91	kPa	418.12	Calculated Property
Pvap	35.70	kPa	434.16	Calculated Property
Pvap	58.25	kPa	450.20	Calculated Property
Pvap	91.31	kPa	466.24	Calculated Property
Pvap	138.17	kPa	482.28	Calculated Property
Pvap	202.65	kPa	498.32	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2-(2-propenyl)-.

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
• The Yaws Handbook of Vapor Pressure

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