- InChI
- InChI=1S/C9H17N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6H,5H2,1-4H3,(H2,10,12)
- InChI Key
- XNNPAWRINYCIHL-UHFFFAOYSA-N
- Formula
- C9H17N2O2
- SMILES
- CC1(C)CC(C(N)=O)C(C)(C)N1[O]
- Molecular Weight1
- 185.24
- CAS
- 4399-80-8
- Other Names
-
- 1-Pyrrolidinyloxy, 3-carbamoyl-2,2,5,5-tetramethyl-
- 2,2,5,5-Tetramethyl-3-carbamoyl-1-pyrrolidinyloxy
- 3-Carbamoyl-2,2,5,5-tetramethylpyrrolidine-1-oxyl
- 3-Carbamoyl-2,2,5,5-tetramethylpyrrolidinooxyl
- 3-carbamoyl-2,2,5,5-tetramethylpyrrolidin-1-yloxy
- 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).
- 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 | 0.5231 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -292.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.40 ± 0.05 | eV | NIST |
| log10WS | -0.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.696 | Crippen Calculated Property | |
| McVol | 152.060 | ml/mol | McGowan Calculated Property |
| Pc | 2655.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 518.71 | K | Relay (1.0) Calculated Property |
| Tc | 757.03 | K | Relay (1.0) Calculated Property |
| Tfus | 414.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pyrrolidinyloxy, 3-(aminocarbonyl)-2,2,5,5-tetramethyl-.
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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