Chemical Properties of bisabolene oxide

InChI

InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6,13-14H,3,5,7-10H2,1-2,4H3

InChI Key

GCCYGVVSKKTGJQ-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C(CCC=C(C)C)C1CCC2(C)OC2C1

Molecular Weight¹

220.35

• 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°	236.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.52	kJ/mol	Joback Calculated Property
ΔfusH°	27.83	kJ/mol	Joback Calculated Property
ΔvapH°	51.48	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1590.00; 1590.00]
Inp	1590.00		NIST
Inp	1590.00		NIST
I	[2038.00; 2038.00]
I	2038.00		NIST
I	2038.00		NIST
I	2038.00		NIST
Tboil	583.47	K	Joback Calculated Property
Tc	794.07	K	Joback Calculated Property
Tfus	302.64	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.28; 638.16]	J/mol×K	[583.47; 794.07]
Cp,gas	530.28	J/mol×K	583.47	Joback Calculated Property
Cp,gas	550.93	J/mol×K	618.57	Joback Calculated Property
Cp,gas	570.27	J/mol×K	653.67	Joback Calculated Property
Cp,gas	588.50	J/mol×K	688.77	Joback Calculated Property
Cp,gas	605.77	J/mol×K	723.87	Joback Calculated Property
Cp,gas	622.27	J/mol×K	758.97	Joback Calculated Property
Cp,gas	638.16	J/mol×K	794.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to bisabolene oxide.

Sources

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

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