Chemical Properties of (2R,3R,3aR,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-2-ol (CAS 28102-79-6)

InChI

InChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3

InChI Key

JZLOTPMXLYBVOH-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C2CC(O)C(C)C23CCC(C3)C1(C)C

Molecular Weight¹

220.35

CAS

28102-79-6

Other Names

• Zizanol
• 2-epi-Ziza-6(13)-en-3«alpha»-ol
• 1H-3a,6-Methanoazulen-2-ol, octahydro-3,7,7-trimethyl-8-methylene-, (2R,3R,3aR,6R,8aS)-
• 1H-3a,6-Methanoazulen-2-ol, octahydro-3,7,7-trimethyl-8-methylene-, (2R,3S,3aR,6R,8aS)-(+)-
• 1H-3a,6-Methanoazulen-2-ol, octahydro-3,7,7-trimethyl-8-methylene-, [2R-(2«alpha»,3«beta»,3a«beta»,6«beta»,8a«beta»)]-
• Ziza-6(13)-en-3«alpha»-ol
• 2-epi-Ziza-6(13)-en-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.53; 681.62]	J/mol×K	[649.17; 856.86]
Cp,gas	575.53	J/mol×K	649.17	Joback Calculated Property
Cp,gas	594.60	J/mol×K	683.79	Joback Calculated Property
Cp,gas	612.82	J/mol×K	718.40	Joback Calculated Property
Cp,gas	630.40	J/mol×K	753.02	Joback Calculated Property
Cp,gas	647.59	J/mol×K	787.63	Joback Calculated Property
Cp,gas	664.58	J/mol×K	822.25	Joback Calculated Property
Cp,gas	681.62	J/mol×K	856.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2R,3R,3aR,6R,8aS)-3,7,7-Trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-2-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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