Chemical Properties of 1-Piperidineacetonitrile, «alpha»-phenyl- (CAS 5766-79-0)

InChI

InChI=1S/C13H16N2/c14-11-13(12-7-3-1-4-8-12)15-9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-10H2

InChI Key

IXQJQHORYHYKBD-UHFFFAOYSA-N

Formula

C13H16N2

SMILES

N#CC(c1ccccc1)N1CCCCC1

Molecular Weight¹

200.28

CAS

5766-79-0

Other Names

• 1-(«alpha»-Cyanobenzyl)-piperidine
• «alpha»-(1-Piperidyl)-«alpha»-tolunitrile
• «alpha»-Phenyl-«alpha»-(1-piperidino)-acetonitril
• «alpha»-Tolunitrile-«alpha»-piperidino-
• Acetonitrile, 2-phenyl-2-piperidino-
• USAF A-2217
• 2-Phenyl-2-piperidinoacetonitrile
• 1-(1-Cyanobenzyl)piperidine
• NSC 15446

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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	0.4524		Relay (1.0) Calculated Property
ΔcH°solid	-7499.50 ± 1.20	kJ/mol	NIST
ΔfG°	362.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	190.10 ± 1.80	kJ/mol	NIST
ΔfH°solid	97.20 ± 1.70	kJ/mol	NIST
ΔsubH°	[73.21; 92.90]	kJ/mol
ΔsubH°	73.21 ± 0.42	kJ/mol	NIST
ΔsubH°	92.90	kJ/mol	NIST
ΔvapH°	73.20 ± 0.40	kJ/mol	NIST
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-2.00		Relay (1.0) Calculated Property
logPoct/wat	2.737		Crippen Calculated Property
McVol	170.770	ml/mol	McGowan Calculated Property
Pc	2482.95	kPa	Relay (1.0-beta) Calculated Property
Tboil	574.48	K	Relay (1.0) Calculated Property
Tc	828.84	K	Relay (1.0) Calculated Property
Tfus	331.32	K	Relay (1.0) Calculated Property
Vc	0.595	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 1-Piperidineacetonitrile, «alpha»-phenyl-.

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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