Chemical Properties of Phenol, 3,5-bis(1-pyrrolidinyl)- (CAS 16857-92-4)

InChI

InChI=1S/C14H20N2O/c17-14-10-12(15-5-1-2-6-15)9-13(11-14)16-7-3-4-8-16/h9-11,17H,1-8H2

InChI Key

LABWUCJZQBDUAV-UHFFFAOYSA-N

Formula

C14H20N2O

SMILES

Oc1cc(N2CCCC2)cc(N2CCCC2)c1

Molecular Weight¹

232.32

CAS

16857-92-4

Other Names

• 3,5-Di-pyrrolidin-1-yl-phenol

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Standard Gibbs free energy of formation, Acentric Factor, 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 Phenol, 3,5-bis(1-pyrrolidinyl)-.

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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