Chemical Properties of 1s,2r,5r-3-Pinanone

InChI

InChI=1S/C11H18O/c1-7-9-5-4-8(6-10(7)12)11(9,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1

InChI Key

ABXBNWJKXXCADH-VGMNWLOBSA-N

Formula

C11H18O

SMILES

C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2(C)C

Molecular Weight¹

166.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.23; 480.28]	J/mol×K	[531.82; 759.17]
Cp,gas	373.23	J/mol×K	531.82	Joback Calculated Property
Cp,gas	393.80	J/mol×K	569.71	Joback Calculated Property
Cp,gas	413.11	J/mol×K	607.60	Joback Calculated Property
Cp,gas	431.29	J/mol×K	645.50	Joback Calculated Property
Cp,gas	448.46	J/mol×K	683.39	Joback Calculated Property
Cp,gas	464.75	J/mol×K	721.28	Joback Calculated Property
Cp,gas	480.28	J/mol×K	759.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1s,2r,5r-3-Pinanone.

Sources

• 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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