Chemical Properties of (E)-Ocimenyl acetate

InChI

InChI=1S/C12H18O2/c1-6-10(4)8-12(7-9(2)3)14-11(5)13/h6-8,12H,1H2,2-5H3/b10-8+

InChI Key

ZOOSZTPUIIHGKF-CSKARUKUSA-N

Formula

C12H18O2

SMILES

C=CC(C)=CC(C=C(C)C)OC(C)=O

Molecular Weight¹

194.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[238.56; 556.85]	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			-1.50300e+01
Coefficient B			1.11478e+00
Coefficient C			-7.32700e-04
Coefficient D			1.89800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.56	J/mol×K	273.00	Calculated Property
Cp,gas	296.05	J/mol×K	353.78	Calculated Property
Cp,gas	346.62	J/mol×K	434.56	Calculated Property
Cp,gas	390.85	J/mol×K	515.33	Calculated Property
Cp,gas	429.34	J/mol×K	596.11	Calculated Property
Cp,gas	462.71	J/mol×K	676.89	Calculated Property
Cp,gas	491.54	J/mol×K	757.67	Calculated Property
Cp,gas	516.44	J/mol×K	838.44	Calculated Property
Cp,gas	538.01	J/mol×K	919.22	Calculated Property
Cp,gas	556.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-Ocimenyl acetate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.