- InChI
- InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1
- InChI Key
- MYKUKUCHPMASKF-VIFPVBQESA-N
- Formula
- C9H12N2
- SMILES
- c1cncc(C2CCCN2)c1
- Molecular Weight1
- 148.21
- CAS
- 494-97-3
- Other Names
-
- Pyridine, 3-(2-pyrrolidinyl)-, (S)-
- Nicotine, 1'-demethyl-, (S)-
- (S)-2-(3-Pyridyl)pyrrolidine
- Nornicotin
- (S)-(-)-Nornicotine
- 2-(3-Pyridyl)pyrrolidine
- l-Nor-nicotine
- 3-(2-Pyrrolidinyl)pyridine
- (S)-Nornicotine
- Pyridine, 3-(2S)-2-pyrrolidinyl-
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3811 | Relay (1.0) Calculated Property | |
| PAff | 964.00 | kJ/mol | NIST |
| BasG | 931.00 | kJ/mol | NIST |
| ΔfG° | 268.58 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 154.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.506 | Crippen Calculated Property | |
| McVol | 123.010 | ml/mol | McGowan Calculated Property |
| Pc | 3794.79 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 537.20 | K | Relay (1.0) Calculated Property |
| Tc | 780.85 | K | Relay (1.0) Calculated Property |
| Tfus | 290.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Nornicotine.
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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