- InChI
- InChI=1S/C15H21NO4/c1-4-10(2)15(18)20-13-6-8-16-7-5-12(14(13)16)9-19-11(3)17/h4-5,13-14H,6-9H2,1-3H3/b10-4+
- InChI Key
- CDOCTOILMMGBHV-ONNFQVAWSA-N
- Formula
- C15H21NO4
- SMILES
-
CC=C(C)C(=O)OC1CCN2CC=C(COC(C)
=O)C12 - Molecular Weight1
- 279.33
- 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 | 0.5829 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -604.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 95.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.442 | Crippen Calculated Property | |
| McVol | 216.750 | ml/mol | McGowan Calculated Property |
| Pc | 1764.65 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2062.10; 2062.10] |
|
|
| Inp | 2062.10 | NIST | |
| Inp | 2062.10 | NIST | |
| Tboil | 580.95 | K | Relay (1.0) Calculated Property |
| Tc | 801.78 | K | Relay (1.0) Calculated Property |
| Tfus | 364.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.771 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-(Acetoxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl tiglate.
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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