Chemical Properties of 6-Butyroxytropan-3-ol

InChI

InChI=1S/C12H21NO3/c1-3-4-12(15)16-11-6-8-5-9(14)7-10(11)13(8)2/h8-11,14H,3-7H2,1-2H3/t8-,9?,10+,11?/m0/s1

InChI Key

NXGHCTSWBFSTEJ-QPBDYMMBSA-N

Formula

C12H21NO3

SMILES

CCCC(=O)OC1CC2CC(O)CC1N2C

Molecular Weight¹

227.30

• 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.
• 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, 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 6-Butyroxytropan-3-ol.

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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