Chemical Properties of verbenyl ethyl ether (CAS 80581-06-2)

InChI

InChI=1S/C12H20O/c1-5-13-11-6-8(2)9-7-10(11)12(9,3)4/h6,9-11H,5,7H2,1-4H3

InChI Key

LQQWUEVOGQWTBB-UHFFFAOYSA-N

Formula

C12H20O

SMILES

CCOC1C=C(C)C2CC1C2(C)C

Molecular Weight¹

180.29

CAS

80581-06-2

Other Names

• (1R,4S,5R)-4-Ethoxy-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.87	kJ/mol	Joback Calculated Property
ΔvapH°	58.69	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.014		Crippen Calculated Property
McVol	159.790	ml/mol	McGowan Calculated Property
Inp	[1186.20; 1186.20]
Inp	1186.20		NIST
Inp	1186.20		NIST
Ip	[1371.00; 1382.00]
Ip	1382.00		NIST
Ip	1371.00		NIST
Ip	1382.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[220.35; 604.48]	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			-1.04159e+02
Coefficient B			1.49628e+00
Coefficient C			-1.25404e-03
Coefficient D			4.66400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.35	J/mol×K	273.00	Calculated Property
Cp,gas	288.89	J/mol×K	353.78	Calculated Property
Cp,gas	347.52	J/mol×K	434.56	Calculated Property
Cp,gas	397.72	J/mol×K	515.33	Calculated Property
Cp,gas	440.97	J/mol×K	596.11	Calculated Property
Cp,gas	478.73	J/mol×K	676.89	Calculated Property
Cp,gas	512.49	J/mol×K	757.67	Calculated Property
Cp,gas	543.72	J/mol×K	838.44	Calculated Property
Cp,gas	573.89	J/mol×K	919.22	Calculated Property
Cp,gas	604.48	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to verbenyl ethyl ether.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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