Chemical Properties of Cyclohexene,3-cyclohexyl- (CAS 1808-09-9)

InChI

InChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,7,11-12H,1-2,4-6,8-10H2

InChI Key

KWMKLXOPDTWVIT-UHFFFAOYSA-N

Formula

C12H20

SMILES

C1=CC(C2CCCCC2)CCC1

Molecular Weight¹

164.29

CAS

1808-09-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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 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	[177.34; 577.27]	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			-1.31450e+02
Coefficient B			1.33200e+00
Coefficient C			-7.78280e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.34	J/mol×K	273.00	Calculated Property
Cp,gas	249.24	J/mol×K	353.78	Calculated Property
Cp,gas	313.13	J/mol×K	434.56	Calculated Property
Cp,gas	369.50	J/mol×K	515.33	Calculated Property
Cp,gas	418.84	J/mol×K	596.11	Calculated Property
Cp,gas	461.65	J/mol×K	676.89	Calculated Property
Cp,gas	498.40	J/mol×K	757.67	Calculated Property
Cp,gas	529.60	J/mol×K	838.44	Calculated Property
Cp,gas	555.72	J/mol×K	919.22	Calculated Property
Cp,gas	577.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085432; 0.0002389]	Pa×s	[240.52; 522.89]	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			-1.13864e+01
Coefficient B			1.59314e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			240.52
Temperature range, max.			522.89
η	0.0085432	Pa×s	240.52	Calculated Property
η	0.0039781	Pa×s	271.89	Calculated Property
η	0.0021698	Pa×s	303.27	Calculated Property
η	0.0013259	Pa×s	334.64	Calculated Property
η	0.0008816	Pa×s	366.02	Calculated Property
η	0.0006252	Pa×s	397.39	Calculated Property
η	0.0004663	Pa×s	428.77	Calculated Property
η	0.0003619	Pa×s	460.14	Calculated Property
η	0.0002902	Pa×s	491.52	Calculated Property
η	0.0002389	Pa×s	522.89	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene,3-cyclohexyl-.

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