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_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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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°	190.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.21	kJ/mol	Joback Calculated Property
ΔfusH°	25.74	kJ/mol	Joback Calculated Property
ΔvapH°	62.18	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2173.43	kPa	Joback 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	1682.90		NIST
Inp	1669.00		NIST
Inp	1676.00		NIST
I	1843.00		NIST
Tboil	641.64	K	Joback Calculated Property
Tc	834.93	K	Joback Calculated Property
Tfus	400.77	K	Joback Calculated Property
Vc	0.756	m3/kmol	Joback Calculated Property

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

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

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