Chemical Properties of 1,3-Dioxolane, 2,4-di-tert-butyl-, trans- (CAS 26563-87-1)

InChI

InChI=1S/C11H22O2/c1-10(2,3)8-7-12-9(13-8)11(4,5)6/h8-9H,7H2,1-6H3/t8-,9+/m1/s1

InChI Key

WENPMVZGWLEFAM-BDAKNGLRSA-N

Formula

C11H22O2

SMILES

CC(C)(C)C1COC(C(C)(C)C)O1

Molecular Weight¹

186.29

CAS

26563-87-1

• 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).
• 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	[239.67; 618.76]	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			-7.59600e+01
Coefficient B			1.39972e+00
Coefficient C			-9.62400e-04
Coefficient D			2.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.67	J/mol×K	273.00	Calculated Property
Cp,gas	310.17	J/mol×K	353.78	Calculated Property
Cp,gas	371.68	J/mol×K	434.56	Calculated Property
Cp,gas	425.01	J/mol×K	515.33	Calculated Property
Cp,gas	470.97	J/mol×K	596.11	Calculated Property
Cp,gas	510.37	J/mol×K	676.89	Calculated Property
Cp,gas	544.04	J/mol×K	757.67	Calculated Property
Cp,gas	572.79	J/mol×K	838.44	Calculated Property
Cp,gas	597.42	J/mol×K	919.22	Calculated Property
Cp,gas	618.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075039; 0.0003294]	Pa×s	[278.37; 503.88]	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			-1.18767e+01
Coefficient B			1.94423e+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.			278.37
Temperature range, max.			503.88
η	0.0075039	Pa×s	278.37	Calculated Property
η	0.0042151	Pa×s	303.43	Calculated Property
η	0.0025855	Pa×s	328.48	Calculated Property
η	0.0016997	Pa×s	353.54	Calculated Property
η	0.0011811	Pa×s	378.60	Calculated Property
η	0.0008587	Pa×s	403.65	Calculated Property
η	0.0006480	Pa×s	428.71	Calculated Property
η	0.0005045	Pa×s	453.76	Calculated Property
η	0.0004031	Pa×s	478.82	Calculated Property
η	0.0003294	Pa×s	503.88	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2,4-di-tert-butyl-, trans-.

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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