Chemical Properties of Cyclohexene, 1,5,5-trimethyl- (CAS 503-46-8)

InChI

InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h5H,4,6-7H2,1-3H3

InChI Key

CHOOCIQDWNAXQQ-UHFFFAOYSA-N

Formula

C9H16

SMILES

CC1=CCCC(C)(C)C1

Molecular Weight¹

124.22

CAS

503-46-8

Other Names

• 1,5,5-trimethylcyclohexene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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	[150.44; 441.71]	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			-9.88100e+01
Coefficient B			1.15736e+00
Coefficient C			-9.99640e-04
Coefficient D			3.82800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.44	J/mol×K	273.00	Calculated Property
Cp,gas	202.47	J/mol×K	353.78	Calculated Property
Cp,gas	246.77	J/mol×K	434.56	Calculated Property
Cp,gas	284.53	J/mol×K	515.33	Calculated Property
Cp,gas	316.97	J/mol×K	596.11	Calculated Property
Cp,gas	345.30	J/mol×K	676.89	Calculated Property
Cp,gas	370.73	J/mol×K	757.67	Calculated Property
Cp,gas	394.46	J/mol×K	838.44	Calculated Property
Cp,gas	417.72	J/mol×K	919.22	Calculated Property
Cp,gas	441.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[303.72; 455.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35217e+01
Coefficient B			-3.27828e+03
Coefficient C			-5.60060e+01
Temperature range, min.			303.72
Temperature range, max.			455.30
Pvap	1.33	kPa	303.72	Calculated Property
Pvap	3.10	kPa	320.56	Calculated Property
Pvap	6.50	kPa	337.40	Calculated Property
Pvap	12.55	kPa	354.25	Calculated Property
Pvap	22.58	kPa	371.09	Calculated Property
Pvap	38.29	kPa	387.93	Calculated Property
Pvap	61.69	kPa	404.77	Calculated Property
Pvap	95.12	kPa	421.62	Calculated Property
Pvap	141.17	kPa	438.46	Calculated Property
Pvap	202.66	kPa	455.30	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1,5,5-trimethyl-.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.