Chemical Properties of 3,3-Dimethylcyclohexene (CAS 695-28-3)

InChI

InChI=1S/C8H14/c1-8(2)6-4-3-5-7-8/h4,6H,3,5,7H2,1-2H3

InChI Key

BWYHTITWPWGSHN-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC1(C)C=CCCC1

Molecular Weight¹

110.20

CAS

695-28-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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	[126.67; 393.16]	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			-1.12200e+02
Coefficient B			1.12184e+00
Coefficient C			-1.01228e-03
Coefficient D			3.95800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.67	J/mol×K	273.00	Calculated Property
Cp,gas	175.51	J/mol×K	353.78	Calculated Property
Cp,gas	216.62	J/mol×K	434.56	Calculated Property
Cp,gas	251.26	J/mol×K	515.33	Calculated Property
Cp,gas	280.67	J/mol×K	596.11	Calculated Property
Cp,gas	306.11	J/mol×K	676.89	Calculated Property
Cp,gas	328.82	J/mol×K	757.67	Calculated Property
Cp,gas	350.07	J/mol×K	838.44	Calculated Property
Cp,gas	371.10	J/mol×K	919.22	Calculated Property
Cp,gas	393.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[285.07; 429.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.32442e+01
Coefficient B			-2.95819e+03
Coefficient C			-5.67600e+01
Temperature range, min.			285.07
Temperature range, max.			429.67
Pvap	1.33	kPa	285.07	Calculated Property
Pvap	3.12	kPa	301.14	Calculated Property
Pvap	6.59	kPa	317.20	Calculated Property
Pvap	12.76	kPa	333.27	Calculated Property
Pvap	22.95	kPa	349.34	Calculated Property
Pvap	38.85	kPa	365.40	Calculated Property
Pvap	62.43	kPa	381.47	Calculated Property
Pvap	95.92	kPa	397.54	Calculated Property
Pvap	141.79	kPa	413.60	Calculated Property
Pvap	202.66	kPa	429.67	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dimethylcyclohexene.

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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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