Chemical Properties of Methyl-«gamma»-Campholenate

InChI

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

InChI Key

SEXMCXRIYSCDBX-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

C=C1CCC(CC(=O)OC)C1(C)C

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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[216.79; 560.31]	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			-6.39490e+01
Coefficient B			1.27366e+00
Coefficient C			-9.92200e-04
Coefficient D			3.42800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.79	J/mol×K	273.00	Calculated Property
Cp,gas	277.64	J/mol×K	353.78	Calculated Property
Cp,gas	330.29	J/mol×K	434.56	Calculated Property
Cp,gas	375.83	J/mol×K	515.33	Calculated Property
Cp,gas	415.33	J/mol×K	596.11	Calculated Property
Cp,gas	449.89	J/mol×K	676.89	Calculated Property
Cp,gas	480.58	J/mol×K	757.67	Calculated Property
Cp,gas	508.49	J/mol×K	838.44	Calculated Property
Cp,gas	534.71	J/mol×K	919.22	Calculated Property
Cp,gas	560.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-«gamma»-Campholenate.

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.