Chemical Properties of 6-Hydroxycaryophyllene

InChI

InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h7,12-14,16H,2,5-6,8-9H2,1,3-4H3/b10-7+/t12?,13-,14-/m0/s1

InChI Key

DJGZASXOWNHOFE-MNUBBZDBSA-N

Formula

C15H24O

SMILES

C=C1CC(O)C=C(C)CCC2C1CC2(C)C

Molecular Weight¹

220.35

Other Names

• Caryophyllene, 6-hydroxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-261.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.98	kJ/mol	Joback Calculated Property
ΔvapH°	90.30	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
logPoct/wat	3.696		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Inp	[1643.00; 1649.00]
Inp	1649.00		NIST
Inp	1643.00		NIST
I	[2346.00; 2346.00]
I	2346.00		NIST
I	2346.00		NIST
I	2346.00		NIST
I	2346.00		NIST
Tboil	573.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[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 6-Hydroxycaryophyllene.

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.
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