- InChI
- InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
- InChI Key
- VDQQJMHXZCMNMU-UHFFFAOYSA-N
- Formula
- C10H13N
- SMILES
- c1ccc(N2CCCC2)cc1
- Molecular Weight1
- 147.22
- CAS
- 4096-21-3
- Other Names
-
- 1-Phenylpyrrolidine
- Pyrrolidine, 1-phenyl-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 | 0.3900 | Relay (1.0) Calculated Property | |
| PAff | 941.60 | kJ/mol | NIST |
| BasG | 915.10 | kJ/mol | NIST |
| ΔfG° | 253.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 106.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 59.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.80; 7.23] | eV |
|
| IE | 6.80 | eV | NIST |
| IE | 7.23 ± 0.06 | eV | NIST |
| log10WS | -2.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.287 | Crippen Calculated Property | |
| McVol | 127.120 | ml/mol | McGowan Calculated Property |
| Pc | 3408.10 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 512.83 | K | Relay (1.0) Calculated Property |
| Tc | 743.74 | K | Relay (1.0) Calculated Property |
| Tfus | 257.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Phenylpyrrolidine.
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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