- InChI
- InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2
- InChI Key
- HJORCZCMNWLHMB-UHFFFAOYSA-N
- Formula
- C7H14N2O
- SMILES
- NCCCN1CCCC1=O
- Molecular Weight1
- 142.20
- CAS
- 7663-77-6
- Other Names
-
- 2-Pyrrolidinone, 1-(3-aminopropyl)-
- N-(3-Aminopropyl)-2-pyrrolidinone
- 1-(3-Aminopropyl)-2-pyrrolidinone
- N-(3-aminopropyl)pyrrolidin-2-one
- 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).
- 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 | 0.5705 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.62 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -238.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.042 | Crippen Calculated Property | |
| McVol | 120.160 | ml/mol | McGowan Calculated Property |
| Pc | 3367.72 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 560.24 | K | Relay (1.0) Calculated Property |
| Tc | 783.51 | K | Relay (1.0) Calculated Property |
| Tfus | 322.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 394.70 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1-(3-Aminopropyl)-2-pyrrolidone.
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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