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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.56	kJ/mol	Joback Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Inp	[1663.00; 1663.00]
Inp	1663.00		NIST
Inp	1663.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.62; 761.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.42000e+01
Coefficient B			1.52456e+00
Coefficient C			-8.03980e-04
Coefficient D			1.24700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.62	J/mol×K	273.00	Calculated Property
Cp,gas	360.05	J/mol×K	353.78	Calculated Property
Cp,gas	436.72	J/mol×K	434.56	Calculated Property
Cp,gas	505.01	J/mol×K	515.33	Calculated Property
Cp,gas	565.33	J/mol×K	596.11	Calculated Property
Cp,gas	618.07	J/mol×K	676.89	Calculated Property
Cp,gas	663.61	J/mol×K	757.67	Calculated Property
Cp,gas	702.37	J/mol×K	838.44	Calculated Property
Cp,gas	734.73	J/mol×K	919.22	Calculated Property
Cp,gas	761.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037106; 0.0004903]	Pa×s	[318.70; 599.73]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.91567e+00
Coefficient B			1.37650e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			318.70
Temperature range, max.			599.73
η	0.0037106	Pa×s	318.70	Calculated Property
η	0.0025238	Pa×s	349.93	Calculated Property
η	0.0018285	Pa×s	381.15	Calculated Property
η	0.0013910	Pa×s	412.38	Calculated Property
η	0.0010998	Pa×s	443.60	Calculated Property
η	0.0008968	Pa×s	474.83	Calculated Property
η	0.0007499	Pa×s	506.06	Calculated Property
η	0.0006402	Pa×s	537.28	Calculated Property
η	0.0005562	Pa×s	568.51	Calculated Property
η	0.0004903	Pa×s	599.73	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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