Chemical Properties of (3S,3aS,6R,7S,8aS)-3,7,8,8-Tetramethyloctahydro-1H-3a,6-methanoazulen-7-ol (CAS 312296-11-0)

InChI

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

InChI Key

IJVXAOHQRPSJDV-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCC2C13CCC(C3)C(C)(O)C2(C)C

Molecular Weight¹

222.37

CAS

312296-11-0

Other Names

• allo-Khusiol
• Prezizaan-7-ol
• Prezizaan-7-«beta»-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.
• I : 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

Property	Value	Unit	Source
ΔfG°	57.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-314.38	kJ/mol	Joback Calculated Property
ΔfusH°	13.22	kJ/mol	Joback Calculated Property
ΔvapH°	61.37	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.610		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2289.32	kPa	Joback Calculated Property
Inp	[1628.00; 1628.00]
Inp	1628.00		NIST
Inp	1628.00		NIST
I	2188.00		NIST
Tboil	650.25	K	Joback Calculated Property
Tc	863.66	K	Joback Calculated Property
Tfus	425.39	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.75; 710.84]	J/mol×K	[650.25; 863.66]
Cp,gas	595.75	J/mol×K	650.25	Joback Calculated Property
Cp,gas	615.74	J/mol×K	685.82	Joback Calculated Property
Cp,gas	634.97	J/mol×K	721.39	Joback Calculated Property
Cp,gas	653.76	J/mol×K	756.96	Joback Calculated Property
Cp,gas	672.45	J/mol×K	792.52	Joback Calculated Property
Cp,gas	691.37	J/mol×K	828.09	Joback Calculated Property
Cp,gas	710.84	J/mol×K	863.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3S,3aS,6R,7S,8aS)-3,7,8,8-Tetramethyloctahydro-1H-3a,6-methanoazulen-7-ol.

Sources

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

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