- InChI
- InChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m1/s1
- InChI Key
- ADKXZIOQKHHDNQ-MRVPVSSYSA-N
- Formula
- C8H15NO
- SMILES
- CC(=O)CC1CCCN1C
- Molecular Weight1
- 141.21
- CAS
- 496-49-1
- Other Names
-
- 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)-, (R)-
- N-Methyl-2-acetonylpyrrolidine, (R)-
- 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 | 0.4065 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -230.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 56.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.060 | Crippen Calculated Property | |
| McVol | 124.270 | ml/mol | McGowan Calculated Property |
| Pc | 3213.46 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1060.00; 1320.10] |
|
|
| Inp | 1060.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | Outlier 1320.10 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Tboil | 468.48 | K | Relay (1.0) Calculated Property |
| Tc | 678.69 | K | Relay (1.0) Calculated Property |
| Tfus | 276.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.432 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![2-Propanone, 1-[4-(1-methyl-2-pyrrolidinyl)-1-methyl-2-pyrrolidinyl]-.](data:image/png;base64,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)
Find more compounds similar to Hygrine.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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