Chemical Properties of Bisabola-2,10-diene 1,9-oxide

InChI

InChI=1S/C15H24O/c1-10(2)7-13-9-12(4)14-6-5-11(3)8-15(14)16-13/h7-8,12-15H,5-6,9H2,1-4H3

InChI Key

SUZWJCBHQIOYCF-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC(C)=CC1CC(C)C2CCC(C)=CC2O1

Molecular Weight¹

220.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3467		Relay (1.0) Calculated Property
ΔfG°	138.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-212.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.32	kJ/mol	Joback Calculated Property
ΔvapH°	67.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	4.103		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[1596.00; 1596.00]
Inp	1596.00		NIST
Inp	1596.00		NIST
I	[1988.00; 1988.00]
I	1988.00		NIST
I	1988.00		NIST
Tboil	549.97	K	Relay (1.0) Calculated Property
Tc	743.13	K	Relay (1.0) Calculated Property
Tfus	338.68	K	Relay (1.0) Calculated Property
Vc	0.689	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.40; 659.24]	J/mol×K	[598.95; 817.71]
Cp,gas	540.40	J/mol×K	598.95	Joback Calculated Property
Cp,gas	563.52	J/mol×K	635.41	Joback Calculated Property
Cp,gas	585.23	J/mol×K	671.87	Joback Calculated Property
Cp,gas	605.60	J/mol×K	708.33	Joback Calculated Property
Cp,gas	624.68	J/mol×K	744.79	Joback Calculated Property
Cp,gas	642.54	J/mol×K	781.25	Joback Calculated Property
Cp,gas	659.24	J/mol×K	817.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bisabola-2,10-diene 1,9-oxide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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