Chemical Properties of Piperidine, 1-butyl-4-methyl

InChI

InChI=1S/C10H21N/c1-3-4-7-11-8-5-10(2)6-9-11/h10H,3-9H2,1-2H3

InChI Key

AXMCYIWXDKWDCL-UHFFFAOYSA-N

Formula

C10H21N

SMILES

CCCCN1CCC(C)CC1

Molecular Weight¹

155.28

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	53.90	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
logPoct/wat	2.518		Crippen Calculated Property
McVol	150.880	ml/mol	McGowan Calculated Property
Inp	1082.00		NIST
I	[1190.00; 1190.00]
I	1190.00		NIST
I	1190.00		NIST
Tboil	462.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Piperidine, 1-butyl-4-methyl.

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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