Chemical Properties of cis-3,7a-H-cis-5,8-H-3,5-Dimethylpyrrolizidine

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

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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).
• 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
ΔcH°liquid	-5856.80 ± 2.00	kJ/mol	NIST
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 (1.0) Calculated Property
logPoct/wat	2.022		Crippen Calculated Property
McVol	125.930	ml/mol	McGowan Calculated Property
Tboil	449.00	K	Relay (1.0) Calculated Property
Tfus	281.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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