Chemical Properties of cis-2,2,4,6-Tetramethyl-1,3-dioxane (CAS 17227-17-7)

InChI

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

InChI Key

GPKRWHGIASNHBE-KNVOCYPGSA-N

Formula

C8H16O2

SMILES

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

Molecular Weight¹

144.21

CAS

17227-17-7

• 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	-4895.40 ± 3.40	kJ/mol	NIST
ΔfG°	-152.22	kJ/mol	Joback Calculated Property
ΔfH°gas	[-498.00; -496.40]	kJ/mol
ΔfH°gas	-496.40 ± 3.50	kJ/mol	NIST
ΔfH°gas	-498.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-539.40 ± 3.40	kJ/mol	NIST
ΔfusH°	20.11	kJ/mol	Joback Calculated Property
ΔvapH°	[42.30; 43.00]	kJ/mol
ΔvapH°	43.00 ± 1.00	kJ/mol	NIST
ΔvapH°	42.30 ± 1.20	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	446.79	K	Joback Calculated Property
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 cis-2,2,4,6-Tetramethyl-1,3-dioxane.

Sources

• 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.