- InChI
- InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
- InChI Key
- IQXXEPZFOOTTBA-UHFFFAOYSA-N
- Formula
- C11H16N2
- SMILES
- c1ccc(CN2CCNCC2)cc1
- Molecular Weight1
- 176.26
- CAS
- 2759-28-6
- Other Names
-
- N-Benzylpiperazine
- Piperazine, 1-(phenylmethyl)-
- Benzylpiperazine
- Piperazine, 1-benzyl-
- 4-Benzylpiperazine
- BZP
- N-(Phenylmethyl)piperazine
- NSC 40889
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4508 | Relay (1.0) Calculated Property | |
| ΔfG° | 298.19 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 142.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.25e-03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.092 | Crippen Calculated Property | |
| McVol | 151.190 | ml/mol | McGowan Calculated Property |
| Pc | 2810.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1516.10 | NIST | |
| Tboil | 558.00 | K | Relay (1.0) Calculated Property |
| Tc | 780.04 | K | Relay (1.0) Calculated Property |
| Tfus | 303.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Benzylpiperazine.
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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