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 : 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
I	[2064.00; 2108.00]
I	2105.00		NIST
I	2088.00		NIST
I	Outlier 2064.00		NIST
I	2077.00		NIST
I	2080.00		NIST
I	2080.00		NIST
I	2077.00		NIST
I	2080.00		NIST
I	2096.00		NIST
I	2100.00		NIST
I	2090.00		NIST
I	2089.00		NIST
I	2103.00		NIST
I	Outlier 2065.00		NIST
I	2090.00		NIST
I	2093.00		NIST
I	2094.00		NIST
I	2092.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2104.00		NIST
I	2108.00		NIST
I	2108.00		NIST
I	2081.00		NIST
I	2103.00		NIST
I	2103.00		NIST
I	2103.00		NIST
I	2104.00		NIST
I	2084.00		NIST
I	2088.00		NIST
I	2077.00		NIST
I	2108.00		NIST
I	2103.00		NIST
I	2105.00		NIST
I	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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.85; 703.51]	J/mol×K	[666.76; 872.88]
Cp,gas	601.85	J/mol×K	666.76	Joback Calculated Property
Cp,gas	621.61	J/mol×K	701.11	Joback Calculated Property
Cp,gas	640.16	J/mol×K	735.47	Joback Calculated Property
Cp,gas	657.56	J/mol×K	769.82	Joback Calculated Property
Cp,gas	673.88	J/mol×K	804.17	Joback Calculated Property
Cp,gas	689.18	J/mol×K	838.53	Joback Calculated Property
Cp,gas	703.51	J/mol×K	872.88	Joback Calculated Property
η	[0.0000962; 0.0042291]	Pa×s	[365.41; 666.76]
η	0.0042291	Pa×s	365.41	Joback Calculated Property
η	0.0015379	Pa×s	415.63	Joback Calculated Property
η	0.0006956	Pa×s	465.86	Joback Calculated Property
η	0.0003672	Pa×s	516.09	Joback Calculated Property
η	0.0002171	Pa×s	566.31	Joback Calculated Property
η	0.0001398	Pa×s	616.53	Joback Calculated Property
η	0.0000962	Pa×s	666.76	Joback Calculated Property
ΔvapH	62.20	kJ/mol	467.00	NIST

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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