Chemical Properties of 4-Benzylpiperidine (CAS 31252-42-3)

4-Benzylpiperidine

InChI
InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChI Key
ABGXADJDTPFFSZ-UHFFFAOYSA-N
Formula
C12H17N
SMILES
c1ccc(CC2CCNCC2)cc1
Molecular Weight1
175.27
CAS
31252-42-3
Other Names
  • 4-(Phenylmethyl)piperidine
  • Piperidine, 4-(phenylmethyl)-
  • Piperidine, 4-benzyl-
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Physical Properties

Property Value Unit Source
ΔfusH° 22.30 kJ/mol Joback Calculated Property
ΔvapH° 74.20 ± 1.00 kJ/mol NIST
log10WS -1.47 Relay (1.0) Calculated Property
logPoct/wat 2.229 Crippen Calculated Property
McVol 155.300 ml/mol McGowan Calculated Property
Tboil 552.20 K NIST
Tfus 279.50 ± 0.50 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 72.40 kJ/mol 298.15 The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [424.00; 424.20] K [2.30; 2.30] Show Hide
Tboilr 424.20 K 2.30 NIST
Tboilr 424.00 ± 1.00 K 2.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [181.78; 536.19] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.06090e+01
Coefficient B1.17360e+00
Coefficient C-6.80600e-04
Coefficient D1.33800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 181.78 J/mol×K 273.00 Calculated Property
Cp,gas 245.33 J/mol×K 353.78 Calculated Property
Cp,gas 301.84 J/mol×K 434.56 Calculated Property
Cp,gas 351.75 J/mol×K 515.33 Calculated Property
Cp,gas 395.48 J/mol×K 596.11 Calculated Property
Cp,gas 433.45 J/mol×K 676.89 Calculated Property
Cp,gas 466.08 J/mol×K 757.67 Calculated Property
Cp,gas 493.80 J/mol×K 838.44 Calculated Property
Cp,gas 517.03 J/mol×K 919.22 Calculated Property
Cp,gas 536.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Piperidine, 4-(diphenylmethyl)-. 4-Benzyl-4-hydroxypiperidine. 2-benzylpiperidine. 4-Phenylpiperidine. Fenproporex, AC. 1-Cyclopropanecarboxamide, 2-phenyl-N-nonyl-. 1-Cyclopropanecarboxamide, 2-phenyl-N-dodecyl-. 1-Cyclopropanecarboxamide, 2-phenyl-N-octyl-. 1-Cyclopropanecarboxamide, 2-phenyl-N-heptyl-. 1-Cyclopropanecarboxamide, 2-phenyl-N-octadecyl-. Nafronyl. l-Phenylalanine, N-(3-cyclopentylpropionyl)-, methyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, nonyl ester. Glutaric acid monoamide, N-(1,2,3,4-tetrahydronaphth-1-yl)-, dodecyl ester. Glutaric acid, N-(1,2,3,4-tetrahydronaphth-1-yl)-, hexyl ester.

Find more compounds similar to 4-Benzylpiperidine.

Sources

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