Chemical Properties of (+)(-)-(E)-«beta»-caryophyllene

InChI

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h13-14H,1-2,5-10H2,3-4H3/t13-,14-/m0/s1

InChI Key

PMMLIVYPEUJENN-KBPBESRZSA-N

Formula

C15H24

SMILES

C=C1CCCC(=C)C2CC(C)(C)C2CC1

Molecular Weight¹

204.35

• 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 : 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°	229.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-74.75	kJ/mol	Joback Calculated Property
ΔfusH°	12.83	kJ/mol	Joback Calculated Property
ΔvapH°	48.53	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
I	[1586.00; 1586.00]
I	1586.00		NIST
I	1586.00		NIST
Tboil	571.32	K	Joback Calculated Property
Tc	795.83	K	Joback Calculated Property
Tfus	324.11	K	Joback Calculated Property
Vc	0.715	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.15; 623.79]	J/mol×K	[571.32; 795.83]
Cp,gas	500.15	J/mol×K	571.32	Joback Calculated Property
Cp,gas	523.89	J/mol×K	608.74	Joback Calculated Property
Cp,gas	546.20	J/mol×K	646.16	Joback Calculated Property
Cp,gas	567.20	J/mol×K	683.57	Joback Calculated Property
Cp,gas	587.05	J/mol×K	720.99	Joback Calculated Property
Cp,gas	605.87	J/mol×K	758.41	Joback Calculated Property
Cp,gas	623.79	J/mol×K	795.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)(-)-(E)-«beta»-caryophyllene.

Sources

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

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