Chemical Properties of «alpha»-Santalol (CAS 115-71-9)

InChI

InChI=1S/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5-/t11?,12?,13?,14?,15-

InChI Key

PDEQKAVEYSOLJX-NVFXPZDQSA-N

Formula

C15H24O

SMILES

CC(=CCCC1(C)C2CC3C(C2)C31C)CO

Molecular Weight¹

220.35

CAS

115-71-9

Other Names

• 2-Penten-1-ol, 5-(2,3-dimethyltricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-, [R(Z)]-
• (+)-«alpha»-Santalol
• cis-«alpha»-Santalol
• Sandal
• Santalol A
• d-«alpha»-Santalol
• alpha-Santalol
• (Z)- «alpha»-Santalool
• «alpha»-Santanol
• 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-en-1-ol, stereoisomer

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.74	kJ/mol	Joback Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1643.00; 1688.00]
Inp	1671.00		NIST
Inp	1681.10		NIST
Inp	1681.00		NIST
Inp	1682.00		NIST
Inp	1677.00		NIST
Inp	1680.00		NIST
Inp	1683.00		NIST
Inp	1682.90		NIST
Inp	1669.00		NIST
Inp	1660.00		NIST
Inp	1660.00		NIST
Inp	Outlier 1648.00		NIST
Inp	1672.80		NIST
Inp	1676.00		NIST
Inp	1688.00		NIST
Inp	Outlier 1643.00		NIST
Inp	1667.00		NIST
Inp	1676.00		NIST
Inp	1682.90		NIST
Inp	1669.00		NIST
I	1843.00		NIST

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	[566.45; 657.26]	J/mol×K	[641.64; 834.93]
Cp,gas	566.45	J/mol×K	641.64	Joback Calculated Property
Cp,gas	582.63	J/mol×K	673.86	Joback Calculated Property
Cp,gas	598.08	J/mol×K	706.07	Joback Calculated Property
Cp,gas	613.05	J/mol×K	738.29	Joback Calculated Property
Cp,gas	627.75	J/mol×K	770.50	Joback Calculated Property
Cp,gas	642.41	J/mol×K	802.72	Joback Calculated Property
Cp,gas	657.26	J/mol×K	834.93	Joback Calculated Property
ΔvapH	58.30	kJ/mol	371.50	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to «alpha»-Santalol.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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