Chemical Properties of (E)1-Methoxy-3-methyl-1-butene (CAS 31915-76-1)

InChI

InChI=1S/C6H12O/c1-6(2)4-5-7-3/h4-6H,1-3H3/b5-4+

InChI Key

NDACTLNPNAMFLK-SNAWJCMRSA-N

Formula

C6H12O

SMILES

COC=CC(C)C

Molecular Weight¹

100.16

CAS

31915-76-1

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.85; 317.33]	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			7.07000e+00
Coefficient B			5.36560e-01
Coefficient C			-2.78600e-04
Coefficient D			5.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.85	J/mol×K	273.00	Calculated Property
Cp,gas	164.34	J/mol×K	353.78	Calculated Property
Cp,gas	191.92	J/mol×K	434.56	Calculated Property
Cp,gas	216.75	J/mol×K	515.33	Calculated Property
Cp,gas	239.00	J/mol×K	596.11	Calculated Property
Cp,gas	258.83	J/mol×K	676.89	Calculated Property
Cp,gas	276.42	J/mol×K	757.67	Calculated Property
Cp,gas	291.92	J/mol×K	838.44	Calculated Property
Cp,gas	305.50	J/mol×K	919.22	Calculated Property
Cp,gas	317.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061309; 0.0001565]	Pa×s	[159.53; 378.43]	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			-1.14352e+01
Coefficient B			1.01155e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			159.53
Temperature range, max.			378.43
η	0.0061309	Pa×s	159.53	Calculated Property
η	0.0026498	Pa×s	183.85	Calculated Property
η	0.0013933	Pa×s	208.17	Calculated Property
η	0.0008381	Pa×s	232.50	Calculated Property
η	0.0005550	Pa×s	256.82	Calculated Property
η	0.0003948	Pa×s	281.14	Calculated Property
η	0.0002964	Pa×s	305.46	Calculated Property
η	0.0002322	Pa×s	329.79	Calculated Property
η	0.0001881	Pa×s	354.11	Calculated Property
η	0.0001565	Pa×s	378.43	Calculated Property

Similar Compounds

Find more compounds similar to (E)1-Methoxy-3-methyl-1-butene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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