- InChI
- InChI=1S/C10H14N2O2S2/c1-2-14-10(13)9(12-8-16)5-3-4-6-11-7-15/h9H,2-6H2,1H3
- InChI Key
- QJXQTXCTKSKWGP-UHFFFAOYSA-N
- Formula
- C10H14N2O2S2
- SMILES
- CCOC(=O)C(CCCCN=C=S)N=C=S
- Molecular Weight1
- 258.36
- 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).
- Inp : Non-polar retention indices.
- 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 | 68.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.294 | Crippen Calculated Property | |
| McVol | 194.660 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 1847.10 | NIST | |
| Tboil | 795.95 | K | Joback Calculated Property |
| Tc | 1037.46 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-diisothiocyanato-hexanoic acid ethyl ester.
Sources
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