Chemical Properties of 1,4-Dioxane, 2,6-dimethyl-

InChI

InChI=1S/C6H12O2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3

InChI Key

JZUPYBRYQINNRE-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC1COCC(C)O1

Molecular Weight¹

116.16

Other Names

• 2,6-Dimethyl-1,4-dioxane
• p-Dioxane, 2,6-dimethyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.3079		Relay (1.0) Calculated Property
ΔfG°	-155.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.16	kJ/mol	Joback Calculated Property
ΔvapH°	44.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-0.25		Relay (1.0) Calculated Property
logPoct/wat	0.810		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
Inp	[672.00; 672.00]
Inp	672.00		NIST
Inp	672.00		NIST
Tboil	414.05	K	Relay (1.0) Calculated Property
Tc	586.29	K	Relay (1.0) Calculated Property
Tfus	211.94	K	Relay (1.0) Calculated Property
Vc	0.358	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.72; 270.98]	J/mol×K	[405.66; 610.50]
Cp,gas	193.72	J/mol×K	405.66	Joback Calculated Property
Cp,gas	208.14	J/mol×K	439.80	Joback Calculated Property
Cp,gas	221.94	J/mol×K	473.94	Joback Calculated Property
Cp,gas	235.12	J/mol×K	508.08	Joback Calculated Property
Cp,gas	247.68	J/mol×K	542.22	Joback Calculated Property
Cp,gas	259.63	J/mol×K	576.36	Joback Calculated Property
Cp,gas	270.98	J/mol×K	610.50	Joback Calculated Property
η	[0.0003660; 0.0052904]	Pa×s	[213.66; 405.66]
η	0.0052904	Pa×s	213.66	Joback Calculated Property
η	0.0025366	Pa×s	245.66	Joback Calculated Property
η	0.0014407	Pa×s	277.66	Joback Calculated Property
η	0.0009198	Pa×s	309.66	Joback Calculated Property
η	0.0006387	Pa×s	341.66	Joback Calculated Property
η	0.0004721	Pa×s	373.66	Joback Calculated Property
η	0.0003660	Pa×s	405.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane, 2,6-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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