Chemical Properties of Santalol, E-cis,epi-«beta»- (CAS 14490-17-6)

InChI

InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-

InChI Key

OJYKYCDSGQGTRJ-WZUFQYTHSA-N

Formula

C15H24O

SMILES

C=C1C2CCC(C2)C1(C)CCC=C(C)CO

Molecular Weight¹

220.35

CAS

14490-17-6

Other Names

• Epi-«beta»-Santalol

• 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).
• 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_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°	159.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.15	kJ/mol	Joback Calculated Property
ΔfusH°	25.37	kJ/mol	Joback Calculated Property
ΔvapH°	64.40	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2079.33	kPa	Joback Calculated Property
Inp	[1669.00; 1721.00]
Inp	1721.00		NIST
Inp	1669.00		NIST
Inp	1721.00		NIST
I	[2377.00; 2377.00]
I	2377.00		NIST
I	2377.00		NIST
Tboil	651.30	K	Joback Calculated Property
Tc	845.06	K	Joback Calculated Property
Tfus	366.29	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.45; 656.76]	J/mol×K	[651.30; 845.06]
Cp,gas	565.45	J/mol×K	651.30	Joback Calculated Property
Cp,gas	582.25	J/mol×K	683.59	Joback Calculated Property
Cp,gas	598.24	J/mol×K	715.89	Joback Calculated Property
Cp,gas	613.56	J/mol×K	748.18	Joback Calculated Property
Cp,gas	628.33	J/mol×K	780.48	Joback Calculated Property
Cp,gas	642.69	J/mol×K	812.77	Joback Calculated Property
Cp,gas	656.76	J/mol×K	845.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Santalol, E-cis,epi-«beta»-.

Sources

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

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