4-cyano-4-(ethylsulfanylthiocarbonylsulfanyl)pentanoic acid C9H13NO2S3 structure – Flashcards
Flashcard maker : Kieran Carr
| Molecular Formula | C9H13NO2S3 |
| Average mass | 263.400 Da |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 490.7±45.0 °C at 760 mmHg |
| Flash Point | 250.6±28.7 °C |
| Molar Refractivity | 68.5±0.3 cm3 |
| Polarizability | 27.1±0.5 10-24cm3 |
| Surface Tension | 65.4±3.0 dyne/cm |
| Molar Volume | 198.1±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.3±0.1 g/cm3 |
| Boiling Point: | 490.7±45.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±2.7 mmHg at 25°C |
| Enthalpy of Vaporization: | 82.9±6.0 kJ/mol |
| Flash Point: | 250.6±28.7 °C |
| Index of Refraction: | 1.608 |
| Molar Refractivity: | 68.5±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 8 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.85 |
| ACD/LogD (pH 5.5): | 1.34 |
| ACD/BCF (pH 5.5): | 2.78 |
| ACD/KOC (pH 5.5): | 28.03 |
| ACD/LogD (pH 7.4): | -0.40 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 144 Å2 |
| Polarizability: | 27.1±0.5 10-24cm3 |
| Surface Tension: | 65.4±3.0 dyne/cm |
| Molar Volume: | 198.1±3.0 cm3 |
Click to predict properties on the Chemicalize site
