- InChI
- InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
- InChI Key
- FLVFPAIGVBQGET-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CN1CCC(O)C1
- Molecular Weight1
- 101.15
- CAS
- 13220-33-2
- Other Names
-
- N-Methyl-3-pyrrolidinol
- 3-Pyrrolidinol, 1-methyl-
- 1-methylpyrrolidin-3-ol
- 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 | 0.4975 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -173.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.317 | Crippen Calculated Property | |
| McVol | 86.300 | ml/mol | McGowan Calculated Property |
| Pc | 4330.63 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 430.36 | K | Relay (1.0) Calculated Property |
| Tc | 633.44 | K | Relay (1.0) Calculated Property |
| Tfus | 283.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.324 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 324.20 | K | 0.10 | NIST |
Similar Compounds
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)
Find more compounds similar to 1-Methyl-3-pyrrolidinol.
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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