Chemical Properties of hydroxycitronellol

InChI

InChI=1S/C11H22O2/c1-9(2)7-10(13)8-11(3,4)5-6-12/h7,10,12-13H,5-6,8H2,1-4H3

InChI Key

HVCWFSIXTUOOBZ-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CC(C)=CC(O)CC(C)(C)CCO

Molecular Weight¹

186.29

• 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.
• 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	[248.21; 595.32]	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			-3.65570e+01
Coefficient B			1.26848e+00
Coefficient C			-8.96500e-04
Coefficient D			2.59900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.21	J/mol×K	273.00	Calculated Property
Cp,gas	311.51	J/mol×K	353.78	Calculated Property
Cp,gas	366.70	J/mol×K	434.56	Calculated Property
Cp,gas	414.62	J/mol×K	515.33	Calculated Property
Cp,gas	456.08	J/mol×K	596.11	Calculated Property
Cp,gas	491.91	J/mol×K	676.89	Calculated Property
Cp,gas	522.93	J/mol×K	757.67	Calculated Property
Cp,gas	549.95	J/mol×K	838.44	Calculated Property
Cp,gas	573.81	J/mol×K	919.22	Calculated Property
Cp,gas	595.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to hydroxycitronellol.

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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