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

• Δ_cH°_solid : Standard solid enthalpy of combustion (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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7499.50 ± 1.20	kJ/mol	NIST
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
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.737		Crippen Calculated Property
McVol	170.770	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.