Chemical Properties of (7-Methylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate

InChI

InChI=1S/C15H18O3/c1-10(2)6-15(16)18-8-12-7-17-9-14-11(3)4-5-13(12)14/h4-5,7,9-10H,6,8H2,1-3H3

InChI Key

SJVGWQDCLSAUCB-UHFFFAOYSA-N

Formula

C15H18O3

SMILES

Cc1ccc2c(COC(=O)CC(C)C)cocc1-2

Molecular Weight¹

246.30

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to (7-Methylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate.

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
• McGowan Method
• NIST Webbook

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