Chemical Properties of 1,1,1-Trimethoxy-3-methylbutane (CAS 74252-65-6)

InChI

InChI=1S/C8H18O3/c1-7(2)6-8(9-3,10-4)11-5/h7H,6H2,1-5H3

InChI Key

WMHIOPJVXYRZFG-UHFFFAOYSA-N

Formula

C8H18O3

SMILES

COC(CC(C)C)(OC)OC

Molecular Weight¹

162.23

CAS

74252-65-6

• 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).
• 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	[219.63; 489.56]	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			4.59610e+01
Coefficient B			7.06000e-01
Coefficient C			-2.53400e-04
Coefficient D			-9.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.63	J/mol×K	273.00	Calculated Property
Cp,gas	263.61	J/mol×K	353.78	Calculated Property
Cp,gas	304.17	J/mol×K	434.56	Calculated Property
Cp,gas	341.26	J/mol×K	515.33	Calculated Property
Cp,gas	374.86	J/mol×K	596.11	Calculated Property
Cp,gas	404.95	J/mol×K	676.89	Calculated Property
Cp,gas	431.49	J/mol×K	757.67	Calculated Property
Cp,gas	454.46	J/mol×K	838.44	Calculated Property
Cp,gas	473.83	J/mol×K	919.22	Calculated Property
Cp,gas	489.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051370; 0.0001730]	Pa×s	[234.03; 437.08]	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			-1.25710e+01
Coefficient B			1.70835e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			234.03
Temperature range, max.			437.08
η	0.0051370	Pa×s	234.03	Calculated Property
η	0.0027038	Pa×s	256.59	Calculated Property
η	0.0015786	Pa×s	279.15	Calculated Property
η	0.0009990	Pa×s	301.71	Calculated Property
η	0.0006737	Pa×s	324.27	Calculated Property
η	0.0004782	Pa×s	346.83	Calculated Property
η	0.0003540	Pa×s	369.39	Calculated Property
η	0.0002713	Pa×s	391.95	Calculated Property
η	0.0002140	Pa×s	414.51	Calculated Property
η	0.0001730	Pa×s	437.08	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Trimethoxy-3-methylbutane.

Sources

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

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