Chemical Properties of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine (CAS 56160-71-5)

InChI

InChI=1S/C9H17N/c1-7-3-5-9-6-4-8(2)10(7)9/h7-9H,3-6H2,1-2H3

InChI Key

KNLORGMOTMPXIN-UHFFFAOYSA-N

Formula

C9H17N

SMILES

CC1CCC2CCC(C)N12

Molecular Weight¹

139.24

CAS

56160-71-5

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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	0.3143		Relay (... Calculated Property
ΔcH°liquid	-5856.80 ± 2.00	kJ/mol	NIST
ΔfG°	148.48	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-66.70 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-114.40 ± 2.10	kJ/mol	NIST
ΔvapH°	[47.70; 47.70]	kJ/mol
ΔvapH°	47.70	kJ/mol	NIST
ΔvapH°	47.70	kJ/mol	NIST
IE	7.30	eV	Relay (... Calculated Property
log10WS	-1.09		Relay (... Calculated Property
logPoct/wat	2.022		Crippen Calculated Property
McVol	125.930	ml/mol	McGowan Calculated Property
Pc	3107.93	kPa	Relay (... Calculated Property ⚠️
Tboil	449.00	K	Relay (... Calculated Property
Tc	681.18	K	Relay (... Calculated Property
Tfus	292.60	K	Relay (... Calculated Property
Vc	0.450	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine.

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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