- InChI
- InChI=1S/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
- InChI Key
- VZZPYUKWXDLMGI-UHFFFAOYSA-N
- Formula
- C8H12N2S2
- SMILES
- S=C=NCCCCCCN=C=S
- Molecular Weight1
- 200.32
- CAS
- 5586-70-9
- Other Names
-
- 1,6-Diisothiocyanatohexane
- Hexane, 1,6-diisothiocyanato-
- Isothiocyanic acid, hexamethylene diester
- 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 | 359.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.752 | Crippen Calculated Property | |
| McVol | 159.040 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 674.34 | K | Joback Calculated Property |
| Tc | 919.69 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isothiocyanic acid, hexamethylene ester.
Sources
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