Chemical Properties of 7-acetyl-5-methyl-2,3-dihydro-(1H)-pyrrolizine

InChI

InChI=1S/C10H13NO/c1-7-6-9(8(2)12)10-4-3-5-11(7)10/h6H,3-5H2,1-2H3

InChI Key

DJAGDEJXGVMMGJ-UHFFFAOYSA-N

Formula

C10H13NO

SMILES

CC(=O)c1cc(C)n2c1CCC2

Molecular Weight¹

163.22

Other Names

• 7-Acetyl-5-methy1-2,3-dihydro-1H-pyrrolizine

• 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).
• I_np : Non-polar retention indices.
• 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	0.5514		Relay (1.0) Calculated Property
ΔfG°	50.87	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-167.83	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-1.43		Relay (1.0) Calculated Property
logPoct/wat	1.945		Crippen Calculated Property
McVol	132.990	ml/mol	McGowan Calculated Property
Pc	3062.34	kPa	Relay (1.0-beta) Calculated Property
Inp	[1541.00; 1541.00]
Inp	1541.00		NIST
Inp	1541.00		NIST
Tboil	547.55	K	Relay (1.0) Calculated Property
Tc	791.99	K	Relay (1.0) Calculated Property
Tfus	361.92	K	Relay (1.0) Calculated Property
Vc	0.509	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 7-acetyl-5-methyl-2,3-dihydro-(1H)-pyrrolizine.

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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