Chemical Properties of 7«alpha»-Hydroxy-1-methoxymethyl-8«alpha»-pyrrolizidine

InChI

InChI=1S/C9H17NO2/c1-12-6-7-2-4-10-5-3-8(11)9(7)10/h7-9,11H,2-6H2,1H3/t7?,8-,9+/m1/s1

InChI Key

SOCHNDUJXVADAC-ASODMVGOSA-N

Formula

C9H17NO2

SMILES

COCC1CCN2CCC(O)C12

Molecular Weight¹

171.24

• 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	0.5402		Relay (... Calculated Property
ΔfG°	-61.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-309.41	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.87	kJ/mol	Relay (... Calculated Property
IE	7.92	eV	Relay (... Calculated Property
log10WS	-0.08		Relay (... Calculated Property
logPoct/wat	0.088		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	2818.37	kPa	Relay (... Calculated Property ⚠️
Inp	[1422.00; 1422.00]
Inp	1422.00		NIST
Inp	1422.00		NIST
Tboil	529.12	K	Relay (... Calculated Property
Tc	748.34	K	Relay (... Calculated Property
Tfus	404.54	K	Relay (... Calculated Property
Vc	0.486	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 7«alpha»-Hydroxy-1-methoxymethyl-8«alpha»-pyrrolizidine.

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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