Chemical Properties of 2-Isopropoxy-3-methyl-1-butene (CAS 56544-18-4)

InChI

InChI=1S/C8H16O/c1-6(2)8(5)9-7(3)4/h6-7H,5H2,1-4H3

InChI Key

NJQBVLZZZOURKA-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C=C(OC(C)C)C(C)C

Molecular Weight¹

128.21

CAS

56544-18-4

• 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).
• 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	[180.31; 422.85]	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			1.50700e+01
Coefficient B			6.92380e-01
Coefficient C			-3.32000e-04
Coefficient D			4.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.31	J/mol×K	273.00	Calculated Property
Cp,gas	220.56	J/mol×K	353.78	Calculated Property
Cp,gas	257.14	J/mol×K	434.56	Calculated Property
Cp,gas	290.19	J/mol×K	515.33	Calculated Property
Cp,gas	319.87	J/mol×K	596.11	Calculated Property
Cp,gas	346.32	J/mol×K	676.89	Calculated Property
Cp,gas	369.69	J/mol×K	757.67	Calculated Property
Cp,gas	390.14	J/mol×K	838.44	Calculated Property
Cp,gas	407.81	J/mol×K	919.22	Calculated Property
Cp,gas	422.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropoxy-3-methyl-1-butene.

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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