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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4235		Relay (1.0) Calculated Property
ΔfG°	244.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-103.56	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.88	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
Pc	1881.50	kPa	Relay (1.0-beta) Calculated Property
Tboil	567.78	K	Relay (1.0) Calculated Property
Tc	834.28	K	Relay (1.0) Calculated Property
Tfus	399.28	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

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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