Chemical Properties of Dihydroammodendrine

InChI

InChI=1S/C12H22N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h11-13H,2-9H2,1H3

InChI Key

BQZMRUJJCKKJNX-UHFFFAOYSA-N

Formula

C12H22N2O

SMILES

CC(=O)N1CCCC(C2CCCCN2)C1

Molecular Weight¹

210.32

• 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	0.4892		Relay (... Calculated Property
ΔfG°	106.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-312.83	kJ/mol	Relay (... Calculated Property
ΔvapH°	82.19	kJ/mol	Relay (... Calculated Property
IE	7.91	eV	Relay (... Calculated Property
log10WS	-0.49		Relay (... Calculated Property
logPoct/wat	1.387		Crippen Calculated Property
McVol	179.750	ml/mol	McGowan Calculated Property
Pc	2144.30	kPa	Relay (... Calculated Property ⚠️
Inp	[1850.00; 1850.00]
Inp	1850.00		NIST
Inp	1850.00		NIST
Tboil	597.79	K	Relay (... Calculated Property
Tc	829.49	K	Relay (... Calculated Property
Tfus	367.51	K	Relay (... Calculated Property
Vc	0.629	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dihydroammodendrine.

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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