Chemical Properties of Adamantane, 1-(1-piperazinyl)

InChI

InChI=1S/C15H25N/c1-2-4-16(5-3-1)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,1-11H2

InChI Key

BIGXHKHDJAZATA-UHFFFAOYSA-N

Formula

C15H25N

SMILES

C1CCN(C23CC4CC(CC(C4)C2)C3)CC1

Molecular Weight¹

219.37

• 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	0.4247		Relay (1.0) Calculated Property
ΔfG°	242.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-157.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.98	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	3.441		Crippen Calculated Property
McVol	188.750	ml/mol	McGowan Calculated Property
Pc	2109.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[1893.00; 1893.00]
Inp	1893.00		NIST
Inp	1893.00		NIST
Tboil	575.43	K	Relay (1.0) Calculated Property
Tc	833.64	K	Relay (1.0) Calculated Property
Tfus	464.92	K	Relay (1.0) Calculated Property
Vc	0.708	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Adamantane, 1-(1-piperazinyl).

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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