Chemical Properties of Neoisolongifolane, hydroxy-

InChI

InChI=1S/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3

InChI Key

CCMWYZQSEJEAEY-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1(C)CCCC2(O)C(C)(C)C3CCC12C3

Molecular Weight¹

222.37

Other Names

• Isolongifolan-7-«alpha»-ol

• 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	[244.90; 797.27]	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			-3.54510e+02
Coefficient B			3.01098e+00
Coefficient C			-3.41000e-03
Coefficient D			1.55080e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.90	J/mol×K	273.00	Calculated Property
Cp,gas	352.58	J/mol×K	353.78	Calculated Property
Cp,gas	437.25	J/mol×K	434.56	Calculated Property
Cp,gas	503.80	J/mol×K	515.33	Calculated Property
Cp,gas	557.13	J/mol×K	596.11	Calculated Property
Cp,gas	602.16	J/mol×K	676.89	Calculated Property
Cp,gas	643.78	J/mol×K	757.67	Calculated Property
Cp,gas	686.91	J/mol×K	838.44	Calculated Property
Cp,gas	736.43	J/mol×K	919.22	Calculated Property
Cp,gas	797.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Neoisolongifolane, hydroxy-.

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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