Chemical Properties of 1,4-Dioxane, 2-ethyl-5-methyl- (CAS 53907-91-8)

InChI

InChI=1S/C7H14O2/c1-3-7-5-8-6(2)4-9-7/h6-7H,3-5H2,1-2H3

InChI Key

DPXGZEPGOMVZDJ-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCC1COC(C)CO1

Molecular Weight¹

130.18

CAS

53907-91-8

Other Names

• 2-Ethyl-5-methyl-1,4-dioxane

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.85; 411.24]	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			-2.84990e+01
Coefficient B			7.58440e-01
Coefficient C			-3.54800e-04
Coefficient D			3.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.85	J/mol×K	273.00	Calculated Property
Cp,gas	197.01	J/mol×K	353.78	Calculated Property
Cp,gas	237.05	J/mol×K	434.56	Calculated Property
Cp,gas	273.07	J/mol×K	515.33	Calculated Property
Cp,gas	305.18	J/mol×K	596.11	Calculated Property
Cp,gas	333.51	J/mol×K	676.89	Calculated Property
Cp,gas	358.17	J/mol×K	757.67	Calculated Property
Cp,gas	379.27	J/mol×K	838.44	Calculated Property
Cp,gas	396.92	J/mol×K	919.22	Calculated Property
Cp,gas	411.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055665; 0.0003261]	Pa×s	[224.93; 441.88]	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			-1.09700e+01
Coefficient B			1.29988e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.93
Temperature range, max.			441.88
η	0.0055665	Pa×s	224.93	Calculated Property
η	0.0031816	Pa×s	249.04	Calculated Property
η	0.0020072	Pa×s	273.14	Calculated Property
η	0.0013645	Pa×s	297.25	Calculated Property
η	0.0009829	Pa×s	321.35	Calculated Property
η	0.0007412	Pa×s	345.46	Calculated Property
η	0.0005799	Pa×s	369.56	Calculated Property
η	0.0004675	Pa×s	393.67	Calculated Property
η	0.0003864	Pa×s	417.77	Calculated Property
η	0.0003261	Pa×s	441.88	Calculated Property

Similar Compounds

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

Sources

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

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