- InChI
- InChI=1S/C20H20ClNO6/c21-11-18(23)26-14-17(19(24)27-12-15-7-3-1-4-8-15)22-20(25)28-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)
- InChI Key
- FFGNBQLGIGNAMP-UHFFFAOYSA-N
- Formula
- C20H20ClNO6
- SMILES
-
O=C(CCl)OCC(N=C(O)OCc1ccccc1)C
(=O)OCc1ccccc1 - Molecular Weight1
- 405.83
- CAS
- 6335-07-5
- Other Names
-
- Serine, n-carboxy-, dibenzyl ester, chloroacetate (ester)
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -705.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.011 | Crippen Calculated Property | |
| McVol | 289.680 | ml/mol | McGowan Calculated Property |
| Pc | 1682.41 | kPa | Joback Calculated Property |
| Tboil | 1091.09 | K | Joback Calculated Property |
| Tc | 1337.45 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydracrylic acid, 2-(carboxyamino)-, dibenzyl ester, chloroacetate.
Sources
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