Chemical Properties of Bisabol-1-one

InChI

InChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h11-14H,5-10H2,1-4H3

InChI Key

KCRFTEABMBVXDT-UHFFFAOYSA-N

Formula

C15H28O

SMILES

CC(C)CCCC(C)C1CCC(C)CC1=O

Molecular Weight¹

224.38

• 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°	-35.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.21	kJ/mol	Joback Calculated Property
ΔfusH°	19.98	kJ/mol	Joback Calculated Property
ΔvapH°	52.58	kJ/mol	Joback Calculated Property
log10WS	-4.31		Crippen Calculated Property
logPoct/wat	4.454		Crippen Calculated Property
McVol	212.920	ml/mol	McGowan Calculated Property
Pc	1686.56	kPa	Joback Calculated Property
Inp	[1713.00; 1754.00]
Inp	1754.00		NIST
Inp	1713.00		NIST
Inp	1754.00		NIST
Tboil	624.42	K	Joback Calculated Property
Tc	829.91	K	Joback Calculated Property
Tfus	300.17	K	Joback Calculated Property
Vc	0.802	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[599.08; 718.18]	J/mol×K	[624.42; 829.91]
Cp,gas	599.08	J/mol×K	624.42	Joback Calculated Property
Cp,gas	621.90	J/mol×K	658.67	Joback Calculated Property
Cp,gas	643.52	J/mol×K	692.92	Joback Calculated Property
Cp,gas	663.95	J/mol×K	727.17	Joback Calculated Property
Cp,gas	683.20	J/mol×K	761.42	Joback Calculated Property
Cp,gas	701.27	J/mol×K	795.66	Joback Calculated Property
Cp,gas	718.18	J/mol×K	829.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bisabol-1-one.

Sources

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

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