Chemical Properties of 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-«alpha»,«alpha»,3,8-tetramethyl-, acetate, [3S-(3«alpha»,5«alpha»,8«alpha»)]- (CAS 134-28-1)

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+/m0/s1

InChI Key

DRFSOBZVMGLICQ-SGMGOOAPSA-N

Formula

C17H28O2

SMILES

CC(=O)OC(C)(C)C1CCC(C)C2=C(C1)C(C)CC2

Molecular Weight¹

264.40

CAS

134-28-1

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_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

Property	Value	Unit	Source
ΔfG°	-62.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-512.30	kJ/mol	Joback Calculated Property
ΔfusH°	24.54	kJ/mol	Joback Calculated Property
ΔvapH°	63.12	kJ/mol	Joback Calculated Property
log10WS	-4.83		Crippen Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[1712.00; 1736.00]
Inp	1712.00		NIST
Inp	1736.00		NIST
Inp	1727.00		NIST
Inp	1735.00		NIST
Inp	1724.00		NIST
Inp	1726.00		NIST
Inp	1727.00		NIST
Inp	1714.00		NIST
Inp	1714.00		NIST
Inp	1736.00		NIST
Inp	1714.00		NIST
Inp	1735.00		NIST
Tboil	696.43	K	Joback Calculated Property
Tc	914.62	K	Joback Calculated Property
Tfus	399.29	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

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 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-«alpha»,«alpha»,3,8-tetramethyl-, acetate, [3S-(3«alpha»,5«alpha»,8«alpha»)]-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.