Chemical Properties of cis-«gamma»-Bisabolene (CAS 13062-00-5)

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14+

InChI Key

XBGUIVFBMBVUEG-CCEZHUSRSA-N

Formula

C15H24

SMILES

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

Molecular Weight¹

204.35

CAS

13062-00-5

Other Names

• (Z)-«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.
• 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°	236.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-58.29	kJ/mol	Joback Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	51.58	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	1877.28	kPa	Joback Calculated Property
Inp	[1478.00; 1532.00]
Inp	Outlier 1532.00		NIST
Inp	1518.00		NIST
Inp	1519.00		NIST
Inp	1515.00		NIST
Inp	1512.00		NIST
Inp	1515.00		NIST
Inp	1509.00		NIST
Inp	1514.00		NIST
Inp	1492.00		NIST
Inp	1506.00		NIST
Inp	1512.00		NIST
Inp	1517.00		NIST
Inp	1509.00		NIST
Inp	1494.00		NIST
Inp	1515.00		NIST
Inp	1504.00		NIST
Inp	1504.00		NIST
Inp	1518.10		NIST
Inp	Outlier 1531.00		NIST
Inp	1515.00		NIST
Inp	1505.00		NIST
Inp	1502.00		NIST
Inp	1512.00		NIST
Inp	1515.00		NIST
Inp	1514.00		NIST
Inp	Outlier 1488.00		NIST
Inp	1507.00		NIST
Inp	1512.00		NIST
Inp	1514.00		NIST
Inp	1514.00		NIST
Inp	1514.00		NIST
Inp	1515.00		NIST
Inp	Outlier 1478.00		NIST
Inp	1515.00		NIST
Inp	1515.00		NIST
Inp	1510.00		NIST
Inp	1518.00		NIST
Inp	1510.00		NIST
Inp	1494.00		NIST
Inp	1516.00		NIST
Inp	1510.00		NIST
Inp	1506.00		NIST
Inp	1519.00		NIST
Inp	1514.00		NIST
Inp	1515.00		NIST
Inp	1515.00		NIST
Inp	1510.00		NIST
Inp	1505.00		NIST
Inp	Outlier 1488.00		NIST
Inp	1514.00		NIST
Inp	1510.00		NIST
Inp	1518.10		NIST
Inp	1515.00		NIST
I	[1726.00; 1773.00]
I	1762.00		NIST
I	1736.00		NIST
I	1751.00		NIST
I	1744.00		NIST
I	1756.00		NIST
I	1756.00		NIST
I	1726.00		NIST
I	1772.00		NIST
I	1773.00		NIST
I	1762.00		NIST
Tboil	581.52	K	Joback Calculated Property
Tc	790.68	K	Joback Calculated Property
Tfus	261.07	K	Joback Calculated Property
Vc	0.760	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.12; 598.22]	J/mol×K	[581.52; 790.68]
Cp,gas	494.12	J/mol×K	581.52	Joback Calculated Property
Cp,gas	514.12	J/mol×K	616.38	Joback Calculated Property
Cp,gas	532.97	J/mol×K	651.24	Joback Calculated Property
Cp,gas	550.75	J/mol×K	686.10	Joback Calculated Property
Cp,gas	567.52	J/mol×K	720.96	Joback Calculated Property
Cp,gas	583.32	J/mol×K	755.82	Joback Calculated Property
Cp,gas	598.22	J/mol×K	790.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-«gamma»-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.