Chemical Properties of (E)-«alpha»-Bisabolene

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+

InChI Key

YHBUQBJHSRGZNF-VGOFMYFVSA-N

Formula

C15H24

SMILES

CC(C)=CCC=C(C)C1CC=C(C)CC1

Molecular Weight¹

204.35

Other Names

• trans-«alpha»-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.
• 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°	263.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.44	kJ/mol	Joback Calculated Property
ΔfusH°	25.06	kJ/mol	Joback Calculated Property
ΔvapH°	50.44	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	5.035		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1503.00; 1557.00]
Inp	1534.00		NIST
Inp	1534.00		NIST
Inp	1533.00		NIST
Inp	1545.00		NIST
Inp	1527.00		NIST
Inp	1557.00		NIST
Inp	1530.00		NIST
Inp	1533.00		NIST
Inp	1530.00		NIST
Inp	1533.00		NIST
Inp	1547.00		NIST
Inp	1538.00		NIST
Inp	1532.00		NIST
Inp	1544.00		NIST
Inp	1538.00		NIST
Inp	1536.00		NIST
Inp	1537.00		NIST
Inp	1543.00		NIST
Inp	1547.00		NIST
Inp	1530.00		NIST
Inp	Outlier 1503.00		NIST
Inp	1517.00		NIST
Inp	1544.00		NIST
Inp	1547.00		NIST
Inp	1534.00		NIST
Inp	1557.00		NIST
Inp	1538.00		NIST
Inp	1537.00		NIST
I	[1724.00; 1786.00]
I	1769.00		NIST
I	1769.00		NIST
I	1778.00		NIST
I	Outlier 1724.00		NIST
I	1770.00		NIST
I	1772.00		NIST
I	1763.00		NIST
I	1768.00		NIST
I	1784.00		NIST
I	1784.00		NIST
I	1786.00		NIST
I	1784.00		NIST
I	1768.00		NIST
Tboil	574.37	K	Joback Calculated Property
Tc	785.97	K	Joback Calculated Property
Tfus	241.39	K	Joback Calculated Property
Vc	0.756	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.01; 604.60]	J/mol×K	[574.37; 785.97]
Cp,gas	495.01	J/mol×K	574.37	Joback Calculated Property
Cp,gas	516.16	J/mol×K	609.64	Joback Calculated Property
Cp,gas	536.07	J/mol×K	644.90	Joback Calculated Property
Cp,gas	554.80	J/mol×K	680.17	Joback Calculated Property
Cp,gas	572.42	J/mol×K	715.43	Joback Calculated Property
Cp,gas	589.00	J/mol×K	750.70	Joback Calculated Property
Cp,gas	604.60	J/mol×K	785.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-«alpha»-Bisabolene.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.