Chemical Properties of 1,1-Dimethoxy-3-methylbutane (CAS 57094-35-6)

InChI

InChI=1S/C7H16O2/c1-6(2)5-7(8-3)9-4/h6-7H,5H2,1-4H3

InChI Key

PLMBSQKUMOJZNE-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

COC(CC(C)C)OC

Molecular Weight¹

132.20

CAS

57094-35-6

• 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).
• 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

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.16; 418.54]	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			4.41610e+01
Coefficient B			5.54280e-01
Coefficient C			-1.41400e-04
Coefficient D			-3.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.16	J/mol×K	273.00	Calculated Property
Cp,gas	220.85	J/mol×K	353.78	Calculated Property
Cp,gas	255.17	J/mol×K	434.56	Calculated Property
Cp,gas	286.98	J/mol×K	515.33	Calculated Property
Cp,gas	316.17	J/mol×K	596.11	Calculated Property
Cp,gas	342.62	J/mol×K	676.89	Calculated Property
Cp,gas	366.20	J/mol×K	757.67	Calculated Property
Cp,gas	386.80	J/mol×K	838.44	Calculated Property
Cp,gas	404.29	J/mol×K	919.22	Calculated Property
Cp,gas	418.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086595; 0.0001852]	Pa×s	[183.11; 403.34]	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			-1.17907e+01
Coefficient B			1.28938e+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.			183.11
Temperature range, max.			403.34
η	0.0086595	Pa×s	183.11	Calculated Property
η	0.0037757	Pa×s	207.58	Calculated Property
η	0.0019612	Pa×s	232.05	Calculated Property
η	0.0011543	Pa×s	256.52	Calculated Property
η	0.0007451	Pa×s	280.99	Calculated Property
η	0.0005159	Pa×s	305.46	Calculated Property
η	0.0003772	Pa×s	329.93	Calculated Property
η	0.0002880	Pa×s	354.40	Calculated Property
η	0.0002277	Pa×s	378.87	Calculated Property
η	0.0001852	Pa×s	403.34	Calculated Property

Similar Compounds

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

Sources

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

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