Chemical Properties of 1,3,3-TRIMETHOXYBUTANE

InChI

InChI=1S/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3

InChI Key

DIQSNTFKLAYVOT-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

COCCC(C)(OC)OC

Molecular Weight¹

148.20

Other Names

• 4-methoxybutan-2-one-dimethylacetal
• Butane, 1,3,3-trimethoxy-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.73; 437.43]	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			4.85520e+01
Coefficient B			6.05080e-01
Coefficient C			-1.95800e-04
Coefficient D			-2.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.73	J/mol×K	273.00	Calculated Property
Cp,gas	237.21	J/mol×K	353.78	Calculated Property
Cp,gas	272.84	J/mol×K	434.56	Calculated Property
Cp,gas	305.58	J/mol×K	515.33	Calculated Property
Cp,gas	335.35	J/mol×K	596.11	Calculated Property
Cp,gas	362.09	J/mol×K	676.89	Calculated Property
Cp,gas	385.73	J/mol×K	757.67	Calculated Property
Cp,gas	406.21	J/mol×K	838.44	Calculated Property
Cp,gas	423.46	J/mol×K	919.22	Calculated Property
Cp,gas	437.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033515; 0.0001895]	Pa×s	[237.76; 419.53]	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			-1.23284e+01
Coefficient B			1.57637e+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.			237.76
Temperature range, max.			419.53
η	0.0033515	Pa×s	237.76	Calculated Property
η	0.0019944	Pa×s	257.96	Calculated Property
η	0.0012797	Pa×s	278.15	Calculated Property
η	0.0008719	Pa×s	298.35	Calculated Property
η	0.0006237	Pa×s	318.55	Calculated Property
η	0.0004644	Pa×s	338.74	Calculated Property
η	0.0003574	Pa×s	358.94	Calculated Property
η	0.0002828	Pa×s	379.13	Calculated Property
η	0.0002292	Pa×s	399.33	Calculated Property
η	0.0001895	Pa×s	419.53	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,3-TRIMETHOXYBUTANE.

Sources

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

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