Chemical Properties of 1,5-Epoxysalvial-4(14)-ene (CAS 88395-47-5)

InChI

InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3

InChI Key

BITBXAWCPCNKKN-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCC2OC1C1C(C(C)C)CCC21C

Molecular Weight¹

220.35

CAS

88395-47-5

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.95	kJ/mol	Joback Calculated Property
logPoct/wat	3.792		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1554.00; 1578.00]
Inp	1554.00		NIST
Inp	1557.00		NIST
Inp	1554.00		NIST
Inp	1573.50		NIST
Inp	1576.00		NIST
Inp	1573.00		NIST
Inp	1578.00		NIST
Inp	1564.00		NIST
Inp	1571.00		NIST
Inp	1569.00		NIST
Inp	1573.50		NIST
I	[1924.00; 1959.00]
I	Outlier 1959.00		NIST
I	Outlier 1924.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1950.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1945.00		NIST
I	1949.00		NIST
I	1945.00		NIST
I	Outlier 1924.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.69; 657.60]	J/mol×K	[588.13; 806.16]
Cp,gas	539.69	J/mol×K	588.13	Joback Calculated Property
Cp,gas	562.31	J/mol×K	624.47	Joback Calculated Property
Cp,gas	583.51	J/mol×K	660.81	Joback Calculated Property
Cp,gas	603.46	J/mol×K	697.14	Joback Calculated Property
Cp,gas	622.35	J/mol×K	733.48	Joback Calculated Property
Cp,gas	640.33	J/mol×K	769.82	Joback Calculated Property
Cp,gas	657.60	J/mol×K	806.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Epoxysalvial-4(14)-ene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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