Chemical Properties of Isohumbertiol A

InChI

InChI=1S/C15H26O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,11,13-14,16H,1,7-8,10H2,2-5H3/t13?,14-,15+/m0/s1

InChI Key

YDECUWOATDRFNP-DMJDIKPUSA-N

Formula

C15H26O

SMILES

C=C[C@@](C)(O)CC1C=C(C)CC[C@H]1C(C)C

Molecular Weight¹

222.37

• 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.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[284.83; 742.75]	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			-7.21890e+01
Coefficient B			1.55468e+00
Coefficient C			-9.66340e-04
Coefficient D			2.26600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.83	J/mol×K	273.00	Calculated Property
Cp,gas	366.91	J/mol×K	353.78	Calculated Property
Cp,gas	439.52	J/mol×K	434.56	Calculated Property
Cp,gas	503.37	J/mol×K	515.33	Calculated Property
Cp,gas	559.19	J/mol×K	596.11	Calculated Property
Cp,gas	607.68	J/mol×K	676.89	Calculated Property
Cp,gas	649.56	J/mol×K	757.67	Calculated Property
Cp,gas	685.56	J/mol×K	838.44	Calculated Property
Cp,gas	716.38	J/mol×K	919.22	Calculated Property
Cp,gas	742.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102738; 0.0000866]	Pa×s	[321.71; 589.04]	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			-1.51006e+01
Coefficient B			3.38519e+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.			321.71
Temperature range, max.			589.04
η	0.0102738	Pa×s	321.71	Calculated Property
η	0.0042214	Pa×s	351.41	Calculated Property
η	0.0019925	Pa×s	381.12	Calculated Property
η	0.0010483	Pa×s	410.82	Calculated Property
η	0.0006014	Pa×s	440.52	Calculated Property
η	0.0003702	Pa×s	470.23	Calculated Property
η	0.0002413	Pa×s	499.93	Calculated Property
η	0.0001651	Pa×s	529.63	Calculated Property
η	0.0001176	Pa×s	559.34	Calculated Property
η	0.0000866	Pa×s	589.04	Calculated Property

Similar Compounds

Find more compounds similar to Isohumbertiol A.

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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