Chemical Properties of trans-2-Ethyl-5-methyl-1,3-dioxane (CAS 35194-54-8)

InChI

InChI=1S/C7H14O2/c1-3-7-8-4-6(2)5-9-7/h6-7H,3-5H2,1-2H3/t6-,7-

InChI Key

XJSQEWBQHRJJSD-LJGSYFOKSA-N

Formula

C7H14O2

SMILES

CCC1OCC(C)CO1

Molecular Weight¹

130.18

CAS

35194-54-8

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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, 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	[152.85; 411.24]	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			-2.84990e+01
Coefficient B			7.58440e-01
Coefficient C			-3.54800e-04
Coefficient D			3.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.85	J/mol×K	273.00	Calculated Property
Cp,gas	197.01	J/mol×K	353.78	Calculated Property
Cp,gas	237.05	J/mol×K	434.56	Calculated Property
Cp,gas	273.07	J/mol×K	515.33	Calculated Property
Cp,gas	305.18	J/mol×K	596.11	Calculated Property
Cp,gas	333.51	J/mol×K	676.89	Calculated Property
Cp,gas	358.17	J/mol×K	757.67	Calculated Property
Cp,gas	379.27	J/mol×K	838.44	Calculated Property
Cp,gas	396.92	J/mol×K	919.22	Calculated Property
Cp,gas	411.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055665; 0.0003261]	Pa×s	[224.93; 441.88]	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			-1.09700e+01
Coefficient B			1.29988e+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.			224.93
Temperature range, max.			441.88
η	0.0055665	Pa×s	224.93	Calculated Property
η	0.0031816	Pa×s	249.04	Calculated Property
η	0.0020072	Pa×s	273.14	Calculated Property
η	0.0013645	Pa×s	297.25	Calculated Property
η	0.0009829	Pa×s	321.35	Calculated Property
η	0.0007412	Pa×s	345.46	Calculated Property
η	0.0005799	Pa×s	369.56	Calculated Property
η	0.0004675	Pa×s	393.67	Calculated Property
η	0.0003864	Pa×s	417.77	Calculated Property
η	0.0003261	Pa×s	441.88	Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Ethyl-5-methyl-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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