Chemical Properties of Cyclohexanecarbonitrile, 1-(1-piperidinyl)- (CAS 3867-15-0)

InChI

InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2

InChI Key

WWSAYKJWUZJLRT-UHFFFAOYSA-N

Formula

C12H20N2

SMILES

N#CC1(N2CCCCC2)CCCCC1

Molecular Weight¹

192.30

CAS

3867-15-0

Other Names

• Cyclohexanecarbonitrile, 1-piperidino-
• 1-Piperidinocyclohexanecarbonitrile
• 1-(1-Cyanocyclohexyl)piperidine
• PCC
• Piperidinocyclohexanecarbonitrile

• 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).
• 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	-7496.18 ± 0.37	kJ/mol	NIST
ΔfH°gas	3.53 ± 0.77	kJ/mol	NIST
ΔfH°solid	-84.23 ± 0.44	kJ/mol	NIST
ΔsubH°	[87.76; 87.80]	kJ/mol
ΔsubH°	87.76 ± 0.63	kJ/mol	NIST
ΔsubH°	87.80	kJ/mol	NIST
ΔsubH°	87.80 ± 0.60	kJ/mol	NIST
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	2.699		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexanecarbonitrile, 1-(1-piperidinyl)-.

Sources

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

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