Chemical Properties of 2«alpha»,4«alpha»-Dimethyl-6«beta»-vinyl-1,3-dioxane (CAS 42411-78-9)

InChI

InChI=1S/C8H14O2/c1-4-8-5-6(2)9-7(3)10-8/h4,6-8H,1,5H2,2-3H3/t6-,7-,8-/m0/s1

InChI Key

JQHFVBPIKCRAJQ-FXQIFTODSA-N

Formula

C8H14O2

SMILES

C=CC1CC(C)OC(C)O1

Molecular Weight¹

142.20

CAS

42411-78-9

• 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).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[166.52; 440.98]	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			-2.64600e+01
Coefficient B			8.06940e-01
Coefficient C			-3.76700e-04
Coefficient D			3.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.52	J/mol×K	273.00	Calculated Property
Cp,gas	213.52	J/mol×K	353.78	Calculated Property
Cp,gas	256.12	J/mol×K	434.56	Calculated Property
Cp,gas	294.43	J/mol×K	515.33	Calculated Property
Cp,gas	328.59	J/mol×K	596.11	Calculated Property
Cp,gas	358.69	J/mol×K	676.89	Calculated Property
Cp,gas	384.86	J/mol×K	757.67	Calculated Property
Cp,gas	407.22	J/mol×K	838.44	Calculated Property
Cp,gas	425.89	J/mol×K	919.22	Calculated Property
Cp,gas	440.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032862; 0.0003252]	Pa×s	[230.20; 453.55]	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			-1.04148e+01
Coefficient B			1.08119e+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.			230.20
Temperature range, max.			453.55
η	0.0032862	Pa×s	230.20	Calculated Property
η	0.0020806	Pa×s	255.02	Calculated Property
η	0.0014286	Pa×s	279.83	Calculated Property
η	0.0010428	Pa×s	304.65	Calculated Property
η	0.0007982	Pa×s	329.47	Calculated Property
η	0.0006343	Pa×s	354.28	Calculated Property
η	0.0005194	Pa×s	379.10	Calculated Property
η	0.0004359	Pa×s	403.92	Calculated Property
η	0.0003734	Pa×s	428.73	Calculated Property
η	0.0003252	Pa×s	453.55	Calculated Property

Similar Compounds

Find more compounds similar to 2«alpha»,4«alpha»-Dimethyl-6«beta»-vinyl-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

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