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-

• 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_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
ω	0.4545		Relay (... Calculated Property
ΔfG°	52.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.81	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.98	kJ/mol	Joback Calculated Property
ΔvapH°	89.09	kJ/mol	Relay (... Calculated Property
IE	8.70	eV	Relay (... Calculated Property
log10WS	-3.74		Relay (... 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	[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
Tboil	573.43	K	Relay (... Calculated Property
Tc	785.17	K	Relay (... Calculated Property
Tfus	347.92	K	Relay (... Calculated Property
Vc	0.651	m3/kmol	Relay (... 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 6-Hydroxycaryophyllene.

Sources

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

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