Chemical Properties of 1,4-Dioxane, 2,5-dimethyl-

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

Other Names

• 2,5-Dimethyl-1,4-dioxane
• p-Dioxane, 2,5-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 : 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	0.3131		Relay (1.0) Calculated Property
ΔfG°	-155.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.16	kJ/mol	Joback Calculated Property
ΔvapH°	46.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-0.66		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
I	[1095.00; 1095.00]
I	1095.00		NIST
I	1095.00		NIST
Tboil	410.53	K	Relay (1.0) Calculated Property
Tc	572.72	K	Relay (1.0) Calculated Property
Tfus	231.90	K	Relay (1.0) Calculated Property
Vc	0.370	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.63; 359.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.75900e+01
Coefficient B			6.63440e-01
Coefficient C			-3.00400e-04
Coefficient D			2.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.63	J/mol×K	273.00	Calculated Property
Cp,gas	170.59	J/mol×K	353.78	Calculated Property
Cp,gas	205.97	J/mol×K	434.56	Calculated Property
Cp,gas	237.84	J/mol×K	515.33	Calculated Property
Cp,gas	266.27	J/mol×K	596.11	Calculated Property
Cp,gas	291.35	J/mol×K	676.89	Calculated Property
Cp,gas	313.15	J/mol×K	757.67	Calculated Property
Cp,gas	331.75	J/mol×K	838.44	Calculated Property
Cp,gas	347.23	J/mol×K	919.22	Calculated Property
Cp,gas	359.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052904; 0.0003148]	Pa×s	[213.66; 427.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.08850e+01
Coefficient B			1.20572e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			213.66
Temperature range, max.			427.35
η	0.0052904	Pa×s	213.66	Calculated Property
η	0.0030087	Pa×s	237.40	Calculated Property
η	0.0018960	Pa×s	261.15	Calculated Property
η	0.0012904	Pa×s	284.89	Calculated Property
η	0.0009318	Pa×s	308.63	Calculated Property
η	0.0007049	Pa×s	332.38	Calculated Property
η	0.0005535	Pa×s	356.12	Calculated Property
η	0.0004479	Pa×s	379.86	Calculated Property
η	0.0003716	Pa×s	403.61	Calculated Property
η	0.0003148	Pa×s	427.35	Calculated Property

Similar Compounds

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

Sources

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

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