Chemical Properties of 7-epi-«beta»-Bisabolol

InChI

InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6,14,16H,3,5,7-11H2,1-2,4H3

InChI Key

AOJGKVRVMQAERF-UHFFFAOYSA-N

Formula

C15H26O

SMILES

C=C1CCC(C(C)(O)CCC=C(C)C)CC1

Molecular Weight¹

222.37

Other Names

• (-)-epi-«beta»-bisabolol

• 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°	90.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.92	kJ/mol	Joback Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	64.99	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.230		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Inp	[1658.00; 1661.00]
Inp	1658.00		NIST
Inp	1661.00		NIST
Inp	1660.00		NIST
I	2163.00		NIST
Tboil	654.30	K	Joback Calculated Property
Tc	851.11	K	Joback Calculated Property
Tfus	324.07	K	Joback Calculated Property
Vc	0.781	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.75; 683.24]	J/mol×K	[654.30; 851.11]
Cp,gas	588.75	J/mol×K	654.30	Joback Calculated Property
Cp,gas	606.96	J/mol×K	687.10	Joback Calculated Property
Cp,gas	624.11	J/mol×K	719.90	Joback Calculated Property
Cp,gas	640.26	J/mol×K	752.71	Joback Calculated Property
Cp,gas	655.45	J/mol×K	785.51	Joback Calculated Property
Cp,gas	669.76	J/mol×K	818.31	Joback Calculated Property
Cp,gas	683.24	J/mol×K	851.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-epi-«beta»-Bisabolol.

Sources

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

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