Chemical Properties of Isoaromadendrene epoxide

InChI

InChI=1S/C15H24O/c1-8-5-6-9-12(8)13-10(14(13,2)3)7-11-15(9,4)16-11/h8-13H,5-7H2,1-4H3

InChI Key

GLKQAHXBJLGAFT-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C1C1C(CC3OC32C)C1(C)C

Molecular Weight¹

220.36

• 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_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°	26.81	kJ/mol	Joback Calculated Property
logPoct/wat	3.482		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Inp	[1579.00; 1612.00]
Inp	1594.00		NIST
Inp	1612.00		NIST
Inp	1612.00		NIST
Inp	1584.00		NIST
Inp	1612.00		NIST
Inp	1579.00		NIST
Inp	1579.00		NIST
Inp	1590.00		NIST
Inp	1590.00		NIST
Ip	[1807.00; 1807.00]
Ip	1807.00		NIST
Ip	1807.00		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, 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	[248.48; 772.96]	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			-2.70620e+02
Coefficient B			2.50728e+00
Coefficient C			-2.50270e-03
Coefficient D			1.03900e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.48	J/mol×K	273.00	Calculated Property
Cp,gas	349.17	J/mol×K	353.78	Calculated Property
Cp,gas	431.59	J/mol×K	434.56	Calculated Property
Cp,gas	499.02	J/mol×K	515.33	Calculated Property
Cp,gas	554.76	J/mol×K	596.11	Calculated Property
Cp,gas	602.08	J/mol×K	676.89	Calculated Property
Cp,gas	644.27	J/mol×K	757.67	Calculated Property
Cp,gas	684.63	J/mol×K	838.44	Calculated Property
Cp,gas	726.43	J/mol×K	919.22	Calculated Property
Cp,gas	772.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isoaromadendrene epoxide.

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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