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

• 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°	244.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-50.08	kJ/mol	Joback Calculated Property
ΔfusH°	22.63	kJ/mol	Joback Calculated Property
ΔvapH°	50.95	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen 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	574.04	K	Joback Calculated Property
Tc	778.59	K	Joback Calculated Property
Tfus	264.39	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback 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

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

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