Chemical Properties of Caryophyllene acetate (CAS 57082-24-3)

InChI

InChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3

InChI Key

SJDDHMSVZMBJPH-UHFFFAOYSA-N

Formula

C17H28O2

SMILES

CC(=O)OC12CCCC(C)(CCC3C1CC3(C)C)C2

Molecular Weight¹

264.40

CAS

57082-24-3

Other Names

• acetoxy-caryophyllene
• [1R-(1«alpha»,2«alpha»,5«beta»,8«beta»)]-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-yl acetate

• 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.
• 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°	-27.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.05	kJ/mol	Joback Calculated Property
ΔfusH°	13.93	kJ/mol	Joback Calculated Property
ΔvapH°	58.78	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.325		Crippen Calculated Property
McVol	225.250	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1690.00; 1720.00]
Inp	1690.00		NIST
Inp	1720.00		NIST
Inp	1708.30		NIST
Inp	1704.00		NIST
Inp	1705.00		NIST
Inp	1700.00		NIST
Inp	1690.00		NIST
Tboil	689.06	K	Joback Calculated Property
Tc	922.50	K	Joback Calculated Property
Tfus	459.99	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.73; 830.75]	J/mol×K	[689.06; 922.50]
Cp,gas	691.73	J/mol×K	689.06	Joback Calculated Property
Cp,gas	715.17	J/mol×K	727.97	Joback Calculated Property
Cp,gas	737.95	J/mol×K	766.87	Joback Calculated Property
Cp,gas	760.48	J/mol×K	805.78	Joback Calculated Property
Cp,gas	783.18	J/mol×K	844.68	Joback Calculated Property
Cp,gas	806.47	J/mol×K	883.59	Joback Calculated Property
Cp,gas	830.75	J/mol×K	922.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caryophyllene acetate.

Sources

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

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