Chemical Properties of 8-acetoxylinalool

InChI

InChI=1S/C12H20O3/c1-5-12(4,14)8-6-7-10(2)9-15-11(3)13/h5,7,14H,1,6,8-9H2,2-4H3/b10-7+

InChI Key

BOJXRPGLMTUOEQ-JXMROGBWSA-N

Formula

C12H20O3

SMILES

C=CC(C)(O)CC/C=C(\C)COC(C)=O

Molecular Weight¹

212.29

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[263.77; 607.30]	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			-1.86570e+01
Coefficient B			1.24876e+00
Coefficient C			-8.45600e-04
Coefficient D			2.22800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.77	J/mol×K	273.00	Calculated Property
Cp,gas	327.16	J/mol×K	353.78	Calculated Property
Cp,gas	382.60	J/mol×K	434.56	Calculated Property
Cp,gas	430.80	J/mol×K	515.33	Calculated Property
Cp,gas	472.46	J/mol×K	596.11	Calculated Property
Cp,gas	508.28	J/mol×K	676.89	Calculated Property
Cp,gas	538.97	J/mol×K	757.67	Calculated Property
Cp,gas	565.23	J/mol×K	838.44	Calculated Property
Cp,gas	587.78	J/mol×K	919.22	Calculated Property
Cp,gas	607.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 8-acetoxylinalool.

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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