Chemical Properties of Cyclohexene,3-(1,1-dimethylethyl)-6-methoxy-trans- (CAS 71555-64-1)

InChI

InChI=1S/C11H20O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5,7,9-10H,6,8H2,1-4H3/t9-,10-/m0/s1

InChI Key

XSCJYACJCMFFJY-UWVGGRQHSA-N

Formula

C11H20O

SMILES

COC1C=CC(C(C)(C)C)CC1

Molecular Weight¹

168.28

CAS

71555-64-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[210.45; 567.23]	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			-5.79700e+01
Coefficient B			1.15108e+00
Coefficient C			-6.48280e-04
Coefficient D			1.22400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.45	J/mol×K	273.00	Calculated Property
Cp,gas	273.54	J/mol×K	353.78	Calculated Property
Cp,gas	329.86	J/mol×K	434.56	Calculated Property
Cp,gas	379.81	J/mol×K	515.33	Calculated Property
Cp,gas	423.76	J/mol×K	596.11	Calculated Property
Cp,gas	462.12	J/mol×K	676.89	Calculated Property
Cp,gas	495.25	J/mol×K	757.67	Calculated Property
Cp,gas	523.56	J/mol×K	838.44	Calculated Property
Cp,gas	547.42	J/mol×K	919.22	Calculated Property
Cp,gas	567.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046036; 0.0002129]	Pa×s	[242.28; 484.52]	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			-1.15294e+01
Coefficient B			1.48965e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			242.28
Temperature range, max.			484.52
η	0.0046036	Pa×s	242.28	Calculated Property
η	0.0024895	Pa×s	269.20	Calculated Property
η	0.0015054	Pa×s	296.11	Calculated Property
η	0.0009900	Pa×s	323.03	Calculated Property
η	0.0006943	Pa×s	349.94	Calculated Property
η	0.0005123	Pa×s	376.86	Calculated Property
η	0.0003936	Pa×s	403.78	Calculated Property
η	0.0003126	Pa×s	430.69	Calculated Property
η	0.0002550	Pa×s	457.61	Calculated Property
η	0.0002129	Pa×s	484.52	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene,3-(1,1-dimethylethyl)-6-methoxy-trans-.

Sources

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