Chemical Properties of 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dimethyl- (CAS 14789-33-4)

InChI

InChI=1S/C9H18N2/c1-10-4-8-3-9(5-10)7-11(2)6-8/h8-9H,3-7H2,1-2H3

InChI Key

XVHVEMJNJDESBO-UHFFFAOYSA-N

Formula

C9H18N2

SMILES

CN1CC2CC(C1)CN(C)C2

Molecular Weight¹

154.25

CAS

14789-33-4

• 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).
• 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	0.3856		Relay (... Calculated Property
ΔfG°	221.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-44.36	kJ/mol	Relay (... Calculated Property
ΔvapH°	58.66	kJ/mol	Relay (... Calculated Property
IE	[6.80; 7.84]	eV
IE	6.80	eV	NIST
IE	7.84	eV	NIST
log10WS	-0.30		Relay (... Calculated Property
logPoct/wat	0.500		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3016.57	kPa	Relay (... Calculated Property ⚠️
Tboil	468.06	K	Relay (... Calculated Property
Tc	691.25	K	Relay (... Calculated Property
Tfus	371.23	K	Relay (... Calculated Property
Vc	0.498	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dimethyl-.

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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