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

• 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 : 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	0.2919		Relay (... Calculated Property
ΔfG°	229.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.39	kJ/mol	Relay (... Calculated Property
ΔfusH°	12.83	kJ/mol	Joback Calculated Property
ΔvapH°	61.75	kJ/mol	Relay (... Calculated Property
IE	8.72	eV	Relay (... Calculated Property
log10WS	-5.50		Relay (... 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	547.68	K	Relay (... Calculated Property
Tc	752.33	K	Relay (... Calculated Property
Tfus	276.01	K	Relay (... Calculated Property
Vc	0.628	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.