Chemical Properties of 3-(Hydroxybenzoyloxy)nortropane

InChI

InChI=1S/C14H17NO3/c16-12-5-1-9(2-6-12)14(17)18-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15-16H,3-4,7-8H2/t10-,11+,13?

InChI Key

DWQUGXKAGSBTHT-QYJAPNMZSA-N

Formula

C14H17NO3

SMILES

O=C(OC1CC2CCC(C1)N2)c1ccc(O)cc1

Molecular Weight¹

247.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[575.30; 660.13]	J/mol×K	[769.21; 1021.60]
Cp,gas	575.30	J/mol×K	769.21	Joback Calculated Property
Cp,gas	591.87	J/mol×K	811.27	Joback Calculated Property
Cp,gas	607.26	J/mol×K	853.34	Joback Calculated Property
Cp,gas	621.64	J/mol×K	895.40	Joback Calculated Property
Cp,gas	635.15	J/mol×K	937.47	Joback Calculated Property
Cp,gas	647.93	J/mol×K	979.53	Joback Calculated Property
Cp,gas	660.13	J/mol×K	1021.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Hydroxybenzoyloxy)nortropane.

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.
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