Chemical Properties of Bisabola-2,6,11-triene

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h8H,1,5-7,9-11H2,2-4H3/b15-14+

InChI Key

AAQGKZZPNFGAFB-CCEZHUSRSA-N

Formula

C15H24

SMILES

C=C(C)CCCC(C)=C1CC=C(C)CC1

Molecular Weight¹

204.35

Other Names

• Iso-«gamma»-bisabolene

• 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.
• 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	0.3929		Relay (1.0) Calculated Property
ΔfG°	244.11	kJ/mol	Joback Calculated Property
ΔfH°gas	9.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.63	kJ/mol	Joback Calculated Property
ΔvapH°	67.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	5.179		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	542.08	K	Relay (1.0) Calculated Property
Tc	709.93	K	Relay (1.0) Calculated Property
Tfus	259.41	K	Relay (1.0) Calculated Property
Vc	0.696	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.28; 595.94]	J/mol×K	[574.04; 778.59]
Cp,gas	492.28	J/mol×K	574.04	Joback Calculated Property
Cp,gas	512.12	J/mol×K	608.13	Joback Calculated Property
Cp,gas	530.86	J/mol×K	642.22	Joback Calculated Property
Cp,gas	548.57	J/mol×K	676.31	Joback Calculated Property
Cp,gas	565.28	J/mol×K	710.41	Joback Calculated Property
Cp,gas	581.06	J/mol×K	744.50	Joback Calculated Property
Cp,gas	595.94	J/mol×K	778.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bisabola-2,6,11-triene.

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.