Chemical Properties of 5,5-Dimethyl-2-isopropyl-1,3-dioxane

InChI

InChI=1S/C9H18O2/c1-7(2)8-10-5-9(3,4)6-11-8/h7-8H,5-6H2,1-4H3

InChI Key

AWSZUOKHFRWQFK-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CC(C)C1OCC(C)(C)CO1

Molecular Weight¹

158.24

Other Names

• 2-Isopropyl-5,5-Dimethyl-1,3-dioxane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[191.03; 522.29]	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			-8.19900e+01
Coefficient B			1.24628e+00
Coefficient C			-9.99400e-04
Coefficient D			3.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.03	J/mol×K	273.00	Calculated Property
Cp,gas	249.66	J/mol×K	353.78	Calculated Property
Cp,gas	300.19	J/mol×K	434.56	Calculated Property
Cp,gas	343.76	J/mol×K	515.33	Calculated Property
Cp,gas	381.50	J/mol×K	596.11	Calculated Property
Cp,gas	414.54	J/mol×K	676.89	Calculated Property
Cp,gas	444.01	J/mol×K	757.67	Calculated Property
Cp,gas	471.04	J/mol×K	838.44	Calculated Property
Cp,gas	496.75	J/mol×K	919.22	Calculated Property
Cp,gas	522.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,5-Dimethyl-2-isopropyl-1,3-dioxane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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