Chemical Properties of Pyrrolidine, 1-tricyclo[4.3.1.12,5]undec-10-yl-, stereoisomer (CAS 85538-51-8)

InChI

InChI=1S/C15H25N/c1-2-9-16(8-1)15-13-4-3-5-14(15)12-7-6-11(13)10-12/h11-15H,1-10H2

InChI Key

FUCAIEMNUXSMGQ-UHFFFAOYSA-N

Formula

C15H25N

SMILES

C1CC2C3CCC(C3)C(C1)C2N1CCCC1

Molecular Weight¹

219.37

CAS

85538-51-8

Other Names

• 1-Tricyclo[4.3.1.1(2,5)]undec-10-ylpyrrolidine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-103.56	kJ/mol	Relay (1.0) Calculated Property
IE	[7.30; 7.93]	eV
IE	7.30	eV	NIST
IE	7.93	eV	NIST
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	3.297		Crippen Calculated Property
McVol	188.750	ml/mol	McGowan Calculated Property
Tboil	567.78	K	Relay (1.0) Calculated Property
Tfus	390.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 Pyrrolidine, 1-tricyclo[4.3.1.12,5]undec-10-yl-, stereoisomer.

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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