Chemical Properties of Selin-6-en-4«alpha»-ol (CAS 118173-08-3)

InChI

InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h10-11,13,16H,5-9H2,1-4H3

InChI Key

PBGYWCDUYHJYFV-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC(C)C1=CC2C(C)(O)CCCC2(C)CC1

Molecular Weight¹

222.37

CAS

118173-08-3

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

Physical Properties

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	[259.91; 765.97]	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			-2.00070e+02
Coefficient B			2.17398e+00
Coefficient C			-2.01064e-03
Coefficient D			8.02700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.91	J/mol×K	273.00	Calculated Property
Cp,gas	352.93	J/mol×K	353.78	Calculated Property
Cp,gas	430.83	J/mol×K	434.56	Calculated Property
Cp,gas	496.15	J/mol×K	515.33	Calculated Property
Cp,gas	551.42	J/mol×K	596.11	Calculated Property
Cp,gas	599.19	J/mol×K	676.89	Calculated Property
Cp,gas	641.99	J/mol×K	757.67	Calculated Property
Cp,gas	682.36	J/mol×K	838.44	Calculated Property
Cp,gas	722.84	J/mol×K	919.22	Calculated Property
Cp,gas	765.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Selin-6-en-4«alpha»-ol.

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

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