Chemical Properties of 6,9-Dihydroxyhumulenol

InChI

InChI=1S/C15H28O2/c1-11-5-6-14(17)12(2)9-13(16)10-15(3,4)8-7-11/h7,12-14,16-17H,5-6,8-10H2,1-4H3/b11-7-

InChI Key

LLPBXVXTTBILMJ-YRNVUSSQSA-N

Formula

C15H28O2

SMILES

C/C1=C\CC(C)(C)CC(O)CC(C)C(O)CC1

Molecular Weight¹

240.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.86	kJ/mol	Joback Calculated Property
logPoct/wat	3.281		Crippen Calculated Property
McVol	218.790	ml/mol	McGowan Calculated Property
Inp	[1822.00; 1822.00]
Inp	1822.00		NIST
Inp	1822.00		NIST
Tboil	610.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[285.06; 817.47]	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			-1.01470e+02
Coefficient B			1.66788e+00
Coefficient C			-9.88640e-04
Coefficient D			2.39700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.06	J/mol×K	273.00	Calculated Property
Cp,gas	375.47	J/mol×K	353.78	Calculated Property
Cp,gas	456.29	J/mol×K	434.56	Calculated Property
Cp,gas	528.30	J/mol×K	515.33	Calculated Property
Cp,gas	592.24	J/mol×K	596.11	Calculated Property
Cp,gas	648.87	J/mol×K	676.89	Calculated Property
Cp,gas	698.95	J/mol×K	757.67	Calculated Property
Cp,gas	743.23	J/mol×K	838.44	Calculated Property
Cp,gas	782.49	J/mol×K	919.22	Calculated Property
Cp,gas	817.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6,9-Dihydroxyhumulenol.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.