Chemical Properties of 1,4-Dioxane, 2,5-dimethyl- (CAS 15176-21-3)

InChI

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

InChI Key

AWBIJARKDOFDAN-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC1COC(C)CO1

Molecular Weight¹

116.16

CAS

15176-21-3

Other Names

• p-Dioxane, 2,5-dimethyl-
• 2,5-Dimethyl-1,4-dioxane

• 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).
• 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 : 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
ΔfG°	-155.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.19	kJ/mol	Joback Calculated Property
ΔfusH°	20.16	kJ/mol	Joback Calculated Property
ΔvapH°	38.09	kJ/mol	Joback Calculated Property
log10WS	-0.63		Crippen Calculated Property
logPoct/wat	0.810		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
I	[1095.00; 1095.00]
I	1095.00		NIST
I	1095.00		NIST
Tboil	405.46	K	Joback Calculated Property
Tc	610.20	K	Joback Calculated Property
Tfus	213.66	K	Joback Calculated Property
Vc	0.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.64; 270.89]	J/mol×K	[405.46; 610.20]
Cp,gas	193.64	J/mol×K	405.46	Joback Calculated Property
Cp,gas	208.06	J/mol×K	439.58	Joback Calculated Property
Cp,gas	221.85	J/mol×K	473.71	Joback Calculated Property
Cp,gas	235.02	J/mol×K	507.83	Joback Calculated Property
Cp,gas	247.58	J/mol×K	541.95	Joback Calculated Property
Cp,gas	259.54	J/mol×K	576.08	Joback Calculated Property
Cp,gas	270.89	J/mol×K	610.20	Joback Calculated Property
η	[0.0003666; 0.0052904]	Pa×s	[213.66; 405.46]
η	0.0052904	Pa×s	213.66	Joback Calculated Property
η	0.0025382	Pa×s	245.63	Joback Calculated Property
η	0.0014422	Pa×s	277.59	Joback Calculated Property
η	0.0009210	Pa×s	309.56	Joback Calculated Property
η	0.0006396	Pa×s	341.53	Joback Calculated Property
η	0.0004728	Pa×s	373.49	Joback Calculated Property
η	0.0003666	Pa×s	405.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dioxane, 2,5-dimethyl-.

Sources

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

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