Chemical Properties of «beta»-Cyclogeraniol (CAS 472-20-8)

InChI

InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3

InChI Key

QWNGCDQJLXENDZ-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC1=C(CO)C(C)(C)CCC1

Molecular Weight¹

154.25

CAS

472-20-8

Other Names

• 2,6,6-trimethylcyclohexene-1-methanol

• 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	[186.70; 508.93]	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			-8.01290e+01
Coefficient B			1.22686e+00
Coefficient C			-1.01740e-03
Coefficient D			3.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.70	J/mol×K	273.00	Calculated Property
Cp,gas	243.38	J/mol×K	353.78	Calculated Property
Cp,gas	292.04	J/mol×K	434.56	Calculated Property
Cp,gas	333.87	J/mol×K	515.33	Calculated Property
Cp,gas	370.09	J/mol×K	596.11	Calculated Property
Cp,gas	401.90	J/mol×K	676.89	Calculated Property
Cp,gas	430.48	J/mol×K	757.67	Calculated Property
Cp,gas	457.05	J/mol×K	838.44	Calculated Property
Cp,gas	482.80	J/mol×K	919.22	Calculated Property
Cp,gas	508.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Cyclogeraniol.

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.
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