Chemical Properties of Pyrrolidine, 1-tricyclo[4.3.1.12,5]undec-3-en-10-yl, stereoisomer (CAS 85523-08-6)

InChI

InChI=1S/C15H23N/c1-2-9-16(8-1)15-13-4-3-5-14(15)12-7-6-11(13)10-12/h6-7,11-15H,1-5,8-10H2

InChI Key

WWQLTSMOIQMDSB-UHFFFAOYSA-N

Formula

C15H23N

SMILES

C1=CC2CC1C1CCCC2C1N1CCCC1

Molecular Weight¹

217.35

CAS

85523-08-6

• 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	0.3880		Relay (1.0) Calculated Property
ΔfG°	299.04	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	16.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	69.92	kJ/mol	Relay (1.0) Calculated Property
IE	[6.80; 7.52]	eV
IE	6.80	eV	NIST
IE	7.52	eV	NIST
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.073		Crippen Calculated Property
McVol	184.450	ml/mol	McGowan Calculated Property
Pc	1923.91	kPa	Relay (1.0-beta) Calculated Property
Tboil	563.76	K	Relay (1.0) Calculated Property
Tc	819.72	K	Relay (1.0) Calculated Property
Tfus	409.94	K	Relay (1.0) Calculated Property
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyrrolidine, 1-tricyclo[4.3.1.12,5]undec-3-en-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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