Chemical Properties of 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate

InChI

InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m1/s1

InChI Key

DRFSOBZVMGLICQ-SGMGOOAPSA-N

Formula

C17H28O2

SMILES

CC(=O)OC(C)(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@H](C)CC2

Molecular Weight¹

264.41

Other Names

• 5-Azulenemethanol, 1,2,3,4,5«alpha»,6,7,8-octahydro-«alpha»,«alpha»,3«beta»,8«beta»-tetramethyl-, acetate
• Guai-1(5)-en-11-ol, acetate
• Guaiac acetate
• Guaiol acetate
• Guaiyl acetate
• 3,8-Dimethyl-5-alpha-hydroxy-deltadimethyl9-octa hydroazulene acetate
• 3,8-Dimethyl-5-alpha-hydroxy-delta^9-octa hydroazulene acetate
• Guaijol, acetate
• 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate
• 1-methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.93; 809.53]	J/mol×K	[696.43; 914.62]
Cp,gas	697.93	J/mol×K	696.43	Joback Calculated Property
Cp,gas	719.94	J/mol×K	732.80	Joback Calculated Property
Cp,gas	740.52	J/mol×K	769.16	Joback Calculated Property
Cp,gas	759.70	J/mol×K	805.53	Joback Calculated Property
Cp,gas	777.56	J/mol×K	841.89	Joback Calculated Property
Cp,gas	794.15	J/mol×K	878.26	Joback Calculated Property
Cp,gas	809.53	J/mol×K	914.62	Joback Calculated Property
η	[0.0002389; 0.0018116]	Pa×s	[399.29; 696.43]
η	0.0018116	Pa×s	399.29	Joback Calculated Property
η	0.0010728	Pa×s	448.81	Joback Calculated Property
η	0.0007051	Pa×s	498.34	Joback Calculated Property
η	0.0004999	Pa×s	547.86	Joback Calculated Property
η	0.0003752	Pa×s	597.38	Joback Calculated Property
η	0.0002943	Pa×s	646.91	Joback Calculated Property
η	0.0002389	Pa×s	696.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate.

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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