Chemical Properties of 1-Propene, 3-(1,1-dimethylethoxy)- (CAS 1471-04-1)

InChI

InChI=1S/C7H14O/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3

InChI Key

FHVRTMVXBVDWCK-UHFFFAOYSA-N

Formula

C7H14O

SMILES

C=CCOC(C)(C)C

Molecular Weight¹

114.19

CAS

1471-04-1

Other Names

• (CH3)3COCH2CH=CH2
• Allyl tert-butyl ether
• Ether, allyl tert-butyl
• tert-Butyl Allyl ether

• 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_c : Critical 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 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	[158.11; 371.92]	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			-5.43900e+00
Coefficient B			7.11460e-01
Coefficient C			-4.40700e-04
Coefficient D			1.06600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.11	J/mol×K	273.00	Calculated Property
Cp,gas	195.82	J/mol×K	353.78	Calculated Property
Cp,gas	229.26	J/mol×K	434.56	Calculated Property
Cp,gas	258.75	J/mol×K	515.33	Calculated Property
Cp,gas	284.65	J/mol×K	596.11	Calculated Property
Cp,gas	307.28	J/mol×K	676.89	Calculated Property
Cp,gas	326.99	J/mol×K	757.67	Calculated Property
Cp,gas	344.11	J/mol×K	838.44	Calculated Property
Cp,gas	358.97	J/mol×K	919.22	Calculated Property
Cp,gas	371.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063127; 0.0002211]	Pa×s	[191.54; 388.26]	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			-1.16802e+01
Coefficient B			1.26703e+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.			191.54
Temperature range, max.			388.26
η	0.0063127	Pa×s	191.54	Calculated Property
η	0.0032060	Pa×s	213.40	Calculated Property
η	0.0018466	Pa×s	235.26	Calculated Property
η	0.0011682	Pa×s	257.11	Calculated Property
η	0.0007941	Pa×s	278.97	Calculated Property
η	0.0005709	Pa×s	300.83	Calculated Property
η	0.0004292	Pa×s	322.69	Calculated Property
η	0.0003345	Pa×s	344.54	Calculated Property
η	0.0002686	Pa×s	366.40	Calculated Property
η	0.0002211	Pa×s	388.26	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 3-(1,1-dimethylethoxy)-.

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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