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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4908.40 ± 4.70	kJ/mol	NIST
ΔfG°	-152.22	kJ/mol	Joback Calculated Property
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
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.936		Crippen Calculated Property
McVol	124.460	ml/mol	McGowan Calculated Property
Pc	3018.96	kPa	Joback Calculated Property
Tboil	384.65 ± 1.50	K	NIST
Tc	655.64	K	Joback Calculated Property
Tfus	255.86	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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