Chemical Properties of 14-Hydroxy-isocaryophyllene («beta»-Betulenol)

InChI

InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6+

InChI Key

MGIQTXDHQJGPEZ-WUXMJOGZSA-N

Formula

C15H24O

SMILES

C=C1CCC=C(CO)CCC2C1CC2(C)C

Molecular Weight¹

220.35

Other Names

• 14-Hydroxyisocaryophyllene (=«beta»-Betulenol)
• 14-hydroxy-iso-caryophyllene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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 : 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
ω	0.5184		Relay (... Calculated Property
ΔfG°	59.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.91	kJ/mol	Joback Calculated Property
ΔvapH°	93.90	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-4.02		Relay (... Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2206.22	kPa	Joback Calculated Property
I	[2393.00; 2393.00]
I	2393.00		NIST
I	2393.00		NIST
I	2393.00		NIST
Tboil	586.04	K	Relay (... Calculated Property
Tc	811.20	K	Relay (... Calculated Property
Tfus	354.25	K	Relay (... Calculated Property
Vc	0.636	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.23; 676.30]	J/mol×K	[668.48; 877.54]
Cp,gas	574.23	J/mol×K	668.48	Joback Calculated Property
Cp,gas	593.26	J/mol×K	703.32	Joback Calculated Property
Cp,gas	611.33	J/mol×K	738.17	Joback Calculated Property
Cp,gas	628.56	J/mol×K	773.01	Joback Calculated Property
Cp,gas	645.05	J/mol×K	807.85	Joback Calculated Property
Cp,gas	660.93	J/mol×K	842.69	Joback Calculated Property
Cp,gas	676.30	J/mol×K	877.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 14-Hydroxy-isocaryophyllene («beta»-Betulenol).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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