Chemical Properties of 2-Isopropoxy-1,3-cyclohexadiene (CAS 98677-91-9)

InChI

InChI=1S/C9H14O/c1-8(2)10-9-6-4-3-5-7-9/h4,6-8H,3,5H2,1-2H3

InChI Key

FMQGDKGEHUYQJR-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC(C)OC1=CCCC=C1

Molecular Weight¹

138.21

CAS

98677-91-9

• 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).
• 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, 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	[160.71; 415.46]	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			-2.31600e+01
Coefficient B			7.78640e-01
Coefficient C			-4.01920e-04
Coefficient D			6.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.71	J/mol×K	273.00	Calculated Property
Cp,gas	204.74	J/mol×K	353.78	Calculated Property
Cp,gas	244.38	J/mol×K	434.56	Calculated Property
Cp,gas	279.83	J/mol×K	515.33	Calculated Property
Cp,gas	311.29	J/mol×K	596.11	Calculated Property
Cp,gas	338.94	J/mol×K	676.89	Calculated Property
Cp,gas	362.99	J/mol×K	757.67	Calculated Property
Cp,gas	383.63	J/mol×K	838.44	Calculated Property
Cp,gas	401.05	J/mol×K	919.22	Calculated Property
Cp,gas	415.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052852; 0.0001868]	Pa×s	[224.08; 464.57]	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			-1.17002e+01
Coefficient B			1.44697e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.08
Temperature range, max.			464.57
η	0.0052852	Pa×s	224.08	Calculated Property
η	0.0026563	Pa×s	250.80	Calculated Property
η	0.0015242	Pa×s	277.52	Calculated Property
η	0.0009642	Pa×s	304.24	Calculated Property
η	0.0006567	Pa×s	330.96	Calculated Property
η	0.0004738	Pa×s	357.68	Calculated Property
η	0.0003576	Pa×s	384.40	Calculated Property
η	0.0002800	Pa×s	411.12	Calculated Property
η	0.0002259	Pa×s	437.84	Calculated Property
η	0.0001868	Pa×s	464.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropoxy-1,3-cyclohexadiene.

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

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