Chemical Properties of Guaiol (CAS 489-86-1)

InChI

InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1

InChI Key

TWVJWDMOZJXUID-SDDRHHMPSA-N

Formula

C15H26O

SMILES

CC1CCC(C(C)(C)O)CC2=C1CCC2C

Molecular Weight¹

222.37

CAS

489-86-1

Other Names

• 2-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)propan-2-ol
• 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-«alpha»,«alpha»,3,8-tetramethyl-, [3S-(3«alpha»,5«alpha»,8«alpha»)]-
• Champaca camphor
• Champacol
• Guai-1(5)-en-11-ol
• Guaiac alcohol
• «alpha»-Guaiol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.67	kJ/mol	Joback Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1571.00; 1626.00]
Inp	1597.00		NIST
Inp	1595.00		NIST
Inp	1602.00		NIST
Inp	1588.00		NIST
Inp	1605.00		NIST
Inp	1600.00		NIST
Inp	1589.00		NIST
Inp	Outlier 1576.00		NIST
Inp	1602.00		NIST
Inp	1591.00		NIST
Inp	1591.00		NIST
Inp	1588.00		NIST
Inp	1578.00		NIST
Inp	1600.00		NIST
Inp	1614.00		NIST
Inp	1600.00		NIST
Inp	1595.00		NIST
Inp	1596.00		NIST
Inp	1597.00		NIST
Inp	1588.00		NIST
Inp	1603.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1598.00		NIST
Inp	1601.00		NIST
Inp	1582.00		NIST
Inp	1584.00		NIST
Inp	1585.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1599.00		NIST
Inp	1586.00		NIST
Inp	1598.00		NIST
Inp	1589.00		NIST
Inp	1589.00		NIST
Inp	1584.00		NIST
Inp	1597.00		NIST
Inp	1602.00		NIST
Inp	1596.00		NIST
Inp	1598.00		NIST
Inp	1597.00		NIST
Inp	1588.00		NIST
Inp	1584.00		NIST
Inp	1585.00		NIST
Inp	1589.00		NIST
Inp	1594.00		NIST
Inp	Outlier 1625.00		NIST
Inp	1591.00		NIST
Inp	1598.00		NIST
Inp	1605.40		NIST
Inp	1604.00		NIST
Inp	Outlier 1617.00		NIST
Inp	1600.00		NIST
Inp	1595.00		NIST
Inp	Outlier 1617.00		NIST
Inp	Outlier 1626.00		NIST
Inp	1595.00		NIST
Inp	1592.00		NIST
Inp	1595.00		NIST
Inp	1598.00		NIST
Inp	1600.00		NIST
Inp	1601.00		NIST
Inp	1585.00		NIST
Inp	1595.00		NIST
Inp	1611.00		NIST
Inp	1601.00		NIST
Inp	1585.00		NIST
Inp	1587.00		NIST
Inp	1608.00		NIST
Inp	1595.00		NIST
Inp	1615.00		NIST
Inp	1596.00		NIST
Inp	1600.00		NIST
Inp	1596.00		NIST
Inp	1595.00		NIST
Inp	1591.00		NIST
Inp	1596.00		NIST
Inp	1597.00		NIST
Inp	1596.00		NIST
Inp	1587.00		NIST
Inp	1601.00		NIST
Inp	1597.00		NIST
Inp	1596.00		NIST
Inp	1592.00		NIST
Inp	Outlier 1625.00		NIST
Inp	1602.00		NIST
Inp	1595.00		NIST
Inp	1594.00		NIST
Inp	Outlier 1626.00		NIST
Inp	Outlier 1619.00		NIST
Inp	1599.00		NIST
Inp	Outlier 1618.00		NIST
Inp	1600.00		NIST
Inp	1599.00		NIST
Inp	1584.00		NIST
Inp	Outlier 1626.00		NIST
Inp	1595.00		NIST
Inp	1601.00		NIST
Inp	1600.00		NIST
Inp	1605.00		NIST
Inp	Outlier 1623.00		NIST
Inp	1596.00		NIST
Inp	1594.00		NIST
Inp	1595.00		NIST
Inp	1593.00		NIST
Inp	1592.00		NIST
Inp	1593.00		NIST
Inp	1591.00		NIST
Inp	1605.00		NIST
Inp	1590.00		NIST
Inp	Outlier 1574.00		NIST
Inp	1599.00		NIST
Inp	1592.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1589.00		NIST
Inp	1598.00		NIST
Inp	1584.00		NIST
Inp	1601.00		NIST
Inp	1593.00		NIST
Inp	1580.00		NIST
Inp	1596.00		NIST
Inp	1595.00		NIST
Inp	1603.00		NIST
Inp	1584.00		NIST
Inp	Outlier 1571.00		NIST
Inp	1599.00		NIST
Inp	1592.00		NIST
Inp	1580.00		NIST
Inp	1604.00		NIST
Inp	Outlier 1616.00		NIST
Inp	1595.00		NIST
Inp	1598.00		NIST
Inp	1593.00		NIST
Inp	1598.00		NIST
Inp	1602.00		NIST
Inp	1600.00		NIST
Inp	1584.00		NIST
Inp	1589.00		NIST
Inp	1603.00		NIST
Inp	1595.00		NIST
Inp	1602.00		NIST
Inp	Outlier 1575.00		NIST
Inp	1593.00		NIST
Inp	1593.00		NIST
Inp	1595.00		NIST
Inp	1596.00		NIST
Inp	1595.00		NIST
Inp	1602.00		NIST
Inp	1603.00		NIST
Inp	1598.00		NIST
Inp	1593.00		NIST
Inp	1589.00		NIST
Inp	1590.00		NIST
Inp	1595.00		NIST
Inp	1595.00		NIST
Inp	1601.00		NIST
Inp	1593.00		NIST
Inp	1596.00		NIST
Inp	Outlier 1575.00		NIST
Inp	1585.00		NIST
Inp	1600.00		NIST
Inp	1592.00		NIST
Inp	1585.00		NIST
Inp	1587.00		NIST
Inp	1597.00		NIST
Inp	1596.00		NIST
Inp	1594.00		NIST
Inp	1601.00		NIST
Inp	1591.00		NIST
Inp	1584.00		NIST
Inp	1595.00		NIST
Inp	1614.00		NIST
Inp	1598.00		NIST
Inp	1602.00		NIST
Ip	[2064.00; 2108.00]
Ip	2105.00		NIST
Ip	2088.00		NIST
Ip	Outlier 2064.00		NIST
Ip	2077.00		NIST
Ip	2080.00		NIST
Ip	2080.00		NIST
Ip	2077.00		NIST
Ip	2080.00		NIST
Ip	2096.00		NIST
Ip	2100.00		NIST
Ip	2090.00		NIST
Ip	2089.00		NIST
Ip	2103.00		NIST
Ip	Outlier 2065.00		NIST
Ip	2090.00		NIST
Ip	2093.00		NIST
Ip	2094.00		NIST
Ip	2092.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2104.00		NIST
Ip	2108.00		NIST
Ip	2108.00		NIST
Ip	2081.00		NIST
Ip	2103.00		NIST
Ip	2103.00		NIST
Ip	2103.00		NIST
Ip	2104.00		NIST
Ip	2084.00		NIST
Ip	2088.00		NIST
Ip	2077.00		NIST
Ip	2108.00		NIST
Ip	2103.00		NIST
Ip	2105.00		NIST
Ip	2090.00		NIST
Tboil	560.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.17; 749.20]	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			-1.08580e+02
Coefficient B			1.65058e+00
Coefficient C			-1.04700e-03
Coefficient D			2.54200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	269.17	J/mol×K	273.00	Calculated Property
Cp,gas	355.57	J/mol×K	353.78	Calculated Property
Cp,gas	431.83	J/mol×K	434.56	Calculated Property
Cp,gas	498.76	J/mol×K	515.33	Calculated Property
Cp,gas	557.15	J/mol×K	596.11	Calculated Property
Cp,gas	607.80	J/mol×K	676.89	Calculated Property
Cp,gas	651.53	J/mol×K	757.67	Calculated Property
Cp,gas	689.14	J/mol×K	838.44	Calculated Property
Cp,gas	721.43	J/mol×K	919.22	Calculated Property
Cp,gas	749.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042291; 0.0001462]	Pa×s	[365.41; 611.02]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38366e+01
Coefficient B			3.05880e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			365.41
Temperature range, max.			611.02
η	0.0042291	Pa×s	365.41	Calculated Property
η	0.0023638	Pa×s	392.70	Calculated Property
η	0.0014250	Pa×s	419.99	Calculated Property
η	0.0009137	Pa×s	447.28	Calculated Property
η	0.0006166	Pa×s	474.57	Calculated Property
η	0.0004343	Pa×s	501.86	Calculated Property
η	0.0003172	Pa×s	529.15	Calculated Property
η	0.0002389	Pa×s	556.44	Calculated Property
η	0.0001847	Pa×s	583.73	Calculated Property
η	0.0001462	Pa×s	611.02	Calculated Property

Similar Compounds

Find more compounds similar to Guaiol.

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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