Chemical Properties of Methyl-.gamma.-Cyclogeranate

InChI

InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h9H,1,5-7H2,2-4H3

InChI Key

SMJXJPQSPQXVMU-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

C=C1CCCC(C)(C)C1C(=O)OC

Molecular Weight¹

182.26

• 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	[211.90; 562.09]	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			-6.90700e+01
Coefficient B			1.26406e+00
Coefficient C			-9.45800e-04
Coefficient D			3.12900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.90	J/mol×K	273.00	Calculated Property
Cp,gas	273.61	J/mol×K	353.78	Calculated Property
Cp,gas	327.31	J/mol×K	434.56	Calculated Property
Cp,gas	373.99	J/mol×K	515.33	Calculated Property
Cp,gas	414.64	J/mol×K	596.11	Calculated Property
Cp,gas	450.25	J/mol×K	676.89	Calculated Property
Cp,gas	481.82	J/mol×K	757.67	Calculated Property
Cp,gas	510.32	J/mol×K	838.44	Calculated Property
Cp,gas	536.74	J/mol×K	919.22	Calculated Property
Cp,gas	562.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-.gamma.-Cyclogeranate.

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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