Chemical Properties of Caryophyllenol II (CAS 32214-89-4)

InChI

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

InChI Key

DWUYGFWOANEJRE-WZUFQYTHSA-N

Formula

C15H24O

SMILES

C=C1CCC(O)C(C)=CCC2C1CC2(C)C

Molecular Weight¹

220.35

CAS

32214-89-4

Other Names

• caryophylla-2(12),6-dien-5«beta»-ol (caryophyllenol II)
• [1R-(1R*,3E,5R*,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-3-en-5-ol

• 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°	52.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.25	kJ/mol	Joback Calculated Property
ΔfusH°	19.98	kJ/mol	Joback Calculated Property
ΔvapH°	65.69	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[1633.00; 1676.00]
Inp	1675.00		NIST
Inp	1676.00		NIST
Inp	1661.00		NIST
Inp	1661.00		NIST
Inp	1671.00		NIST
Inp	1644.00		NIST
Inp	1674.00		NIST
Inp	1656.00		NIST
Inp	1655.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1661.00		NIST
Inp	1656.00		NIST
Inp	1675.00		NIST
I	[2350.00; 2396.00]
I	Outlier 2350.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2396.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2392.00		NIST
I	2396.00		NIST
I	2392.00		NIST
I	Outlier 2350.00		NIST
Tboil	663.81	K	Joback Calculated Property
Tc	872.81	K	Joback Calculated Property
Tfus	380.29	K	Joback Calculated Property
Vc	0.735	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.12; 680.52]	J/mol×K	[663.81; 872.81]
Cp,gas	576.12	J/mol×K	663.81	Joback Calculated Property
Cp,gas	595.62	J/mol×K	698.64	Joback Calculated Property
Cp,gas	614.14	J/mol×K	733.48	Joback Calculated Property
Cp,gas	631.79	J/mol×K	768.31	Joback Calculated Property
Cp,gas	648.66	J/mol×K	803.14	Joback Calculated Property
Cp,gas	664.87	J/mol×K	837.98	Joback Calculated Property
Cp,gas	680.52	J/mol×K	872.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caryophyllenol II.

Sources

• 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.