- InChI
- InChI=1S/C10H16N2S2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2
- InChI Key
- LVGANCPXXODGKA-UHFFFAOYSA-N
- Formula
- C10H16N2S2
- SMILES
- S=C=NCCCCCCCCN=C=S
- Molecular Weight1
- 228.38
- CAS
- 56312-14-2
- 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).
- 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 | 0.6010 | Relay (... Calculated Property | |
| ΔfG° | 310.50 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 109.66 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -5.17 | Relay (... Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 187.220 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Tboil | 549.84 | K | Relay (... Calculated Property |
| Tc | 776.28 | K | Relay (... Calculated Property |
| Tfus | 324.82 | K | Relay (... Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Octane diisothiocyanate.
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
- Joback Method
- McGowan Method
- NIST Webbook
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