- InChI
- InChI=1S/C13H18ClNO2/c1-3-9(2)13(16)17-11-5-7-15-6-4-10(8-14)12(11)15/h3-4,11-12H,5-8H2,1-2H3/b9-3+/t11-,12+/m0/s1
- InChI Key
- QPMBQTBGLNEAQX-XLFQXWAYSA-N
- Formula
- C13H18ClNO2
- SMILES
-
CC=C(C)C(=O)OC1CCN2CC=C(CCl)C1
2 - Molecular Weight1
- 255.74
- 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 | 0.4892 | Relay (... Calculated Property | |
| ΔfG° | -29.52 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -319.28 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -2.22 | Relay (... Calculated Property | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 193.370 | ml/mol | McGowan Calculated Property |
| Pc | 2045.73 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1815.00; 1815.00] |
|
|
| Inp | 1815.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Tboil | 565.87 | K | Relay (... Calculated Property |
| Tc | 807.30 | K | Relay (... Calculated Property |
| Tfus | 364.21 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 7«alpha»-Angeloyl-1-chloromethyl-1,2-dehydropyrrolizidine.
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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