Chemical Properties of 11-epi-6,10-epoxybisabol-2-en-12-al

InChI

InChI=1S/C15H24O2/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)17-15(13)8-10/h4,6,9-15H,5,7-8H2,1-3H3/t10?,11-,12?,13?,14?,15?/m1/s1

InChI Key

HAICQTPYRLMCFN-AOAHJRJYSA-N

Formula

C15H24O2

SMILES

CC1C=CC2C(C)CCC(C(C)C=O)OC2C1

Molecular Weight¹

236.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-44.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.23	kJ/mol	Joback Calculated Property
ΔfusH°	31.56	kJ/mol	Joback Calculated Property
ΔvapH°	59.88	kJ/mol	Joback Calculated Property
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1663.00; 1663.00]
Inp	1663.00		NIST
Inp	1663.00		NIST
Tboil	637.75	K	Joback Calculated Property
Tc	856.49	K	Joback Calculated Property
Tfus	318.70	K	Joback Calculated Property
Vc	0.764	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.44; 710.14]	J/mol×K	[637.75; 856.49]
Cp,gas	593.44	J/mol×K	637.75	Joback Calculated Property
Cp,gas	616.43	J/mol×K	674.21	Joback Calculated Property
Cp,gas	637.96	J/mol×K	710.66	Joback Calculated Property
Cp,gas	658.06	J/mol×K	747.12	Joback Calculated Property
Cp,gas	676.77	J/mol×K	783.58	Joback Calculated Property
Cp,gas	694.11	J/mol×K	820.04	Joback Calculated Property
Cp,gas	710.14	J/mol×K	856.49	Joback Calculated Property
η	[0.0004276; 0.0037106]	Pa×s	[318.70; 637.75]
η	0.0037106	Pa×s	318.70	Joback Calculated Property
η	0.0020009	Pa×s	371.88	Joback Calculated Property
η	0.0012593	Pa×s	425.05	Joback Calculated Property
η	0.0008785	Pa×s	478.23	Joback Calculated Property
η	0.0006586	Pa×s	531.40	Joback Calculated Property
η	0.0005204	Pa×s	584.58	Joback Calculated Property
η	0.0004276	Pa×s	637.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11-epi-6,10-epoxybisabol-2-en-12-al.

Sources

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

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