- InChI
- InChI=1S/C9H11NS2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- LTPWYSQGZKSLIW-UHFFFAOYSA-N
- Formula
- C9H11NS2
- SMILES
- CSC(=Nc1ccccc1)SC
- Molecular Weight1
- 197.32
- CAS
- 18805-23-7
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -6462.20 | kJ/mol | NIST |
| ΔfH°gas | 163.61 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | 143.00 | kJ/mol | NIST |
| ΔvapH° | 54.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 152.290 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 646.12 | K | Joback Calculated Property |
| Tc | 919.66 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pheny dithiocarbimidoic acid dimethyl ester.
Sources
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