Chemical Properties of 1,3-Dioxane, 2,2,4,6-tetramethyl-, trans- (CAS 20268-00-2)

InChI

InChI=1S/C8H16O2/c1-6-5-7(2)10-8(3,4)9-6/h6-7H,5H2,1-4H3/t6-,7-/m0/s1

InChI Key

GPKRWHGIASNHBE-BQBZGAKWSA-N

Formula

C8H16O2

SMILES

CC1CC(C)OC(C)(C)O1

Molecular Weight¹

144.21

CAS

20268-00-2

Other Names

• m-Dioxane, 2,2,4,6-tetramethyl-, trans-
• trans-2,2,4,6-Tetramethyl-1,3-dioxane
• 2,2,cis-4,6-Tetramethyl-1,3-dioxane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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

Property	Value	Unit	Source
ΔcH°liquid	-4908.40 ± 4.70	kJ/mol	NIST
ΔfH°gas	[-485.00; -484.40]	kJ/mol
ΔfH°gas	-484.40 ± 4.90	kJ/mol	NIST
ΔfH°gas	-485.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-526.30 ± 4.70	kJ/mol	NIST
ΔfusH°	20.11	kJ/mol	Joback Calculated Property
ΔvapH°	41.90 ± 1.30	kJ/mol	NIST
IE	9.24	eV	Relay (1.0) Calculated Property
logPoct/wat	1.936		Crippen Calculated Property
McVol	124.460	ml/mol	McGowan Calculated Property
Tboil	384.65 ± 1.50	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.84; 368.66]	J/mol×K	[446.79; 655.64]
Cp,gas	277.84	J/mol×K	446.79	Joback Calculated Property
Cp,gas	295.30	J/mol×K	481.60	Joback Calculated Property
Cp,gas	311.72	J/mol×K	516.41	Joback Calculated Property
Cp,gas	327.19	J/mol×K	551.22	Joback Calculated Property
Cp,gas	341.78	J/mol×K	586.02	Joback Calculated Property
Cp,gas	355.58	J/mol×K	620.83	Joback Calculated Property
Cp,gas	368.66	J/mol×K	655.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxane, 2,2,4,6-tetramethyl-, 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

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.
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