- InChI
- InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
- InChI Key
- WNYADZVDBIBLJJ-UHFFFAOYSA-N
- Formula
- C4H8N2O
- SMILES
- O=NN1CCCC1
- Molecular Weight1
- 100.12
- CAS
- 930-55-2
- Other Names
-
- N-Nitrosopyrrolidine
- 1-Nitrosopyrrolidine
- N-Nitrosopyrrolidin
- Nitrosopyrrolidine
- No-Pyr
- NPYR
- 1-Pyrrolidinamine, N-nitroso-
- 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 | 0.4782 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.50 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 49.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 46.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.764 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Pc | 5198.08 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [175.18; 952.00] |
|
|
| Inp | 952.00 | NIST | |
| Inp | 175.18 | NIST | |
| Inp | 176.52 | NIST | |
| Tboil | 487.20 | K | NIST |
| Tc | 665.64 | K | Relay (1.0) Calculated Property |
| Tfus | 302.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.301 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pyrrolidine, 1-nitroso-.
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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