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| CAS No.: | 110851-66-6 |
|---|---|
| Name: | 3-Tetradecylthiophene |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C18H32S |
| Molecular Weight: | 280.518 |
| Synonyms: | 3-Tetradecylthiophene; |
| Density: | 0.905 g/cm3 |
| Melting Point: | 14.85°C (estimate) |
| Boiling Point: | 364.3 °C at 760 mmHg |
| Flash Point: | 129.9 °C |
| PSA: | 28.24000 |
| LogP: | 6.99170 |
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Specification
The Thiophene, 3-tetradecyl-, with the CAS registry number 110851-66-6, is also known as 3-n-Tetradecylthiophene. This chemical's molecular formula is C18H32S and molecular weight is 280.51168. What's more, its IUPAC name is 3-Tetradecylthiophene.
Physical properties about Thiophene, 3-tetradecyl- are: (1)ACD/LogP: 9.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.26; (4)ACD/LogD (pH 7.4): 9.26; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.491; (10)Molar Refractivity: 89.78 cm3; (11)Molar Volume: 309.8 cm3; (12)Polarizability: 35.59×10-24 cm3; (13)Surface Tension: 33.3 dyne/cm; (14)Density: 0.905 g/cm3; (15)Flash Point: 129.9 °C; (16)Enthalpy of Vaporization: 58.64 kJ/mol; (17)Boiling Point: 364.3 °C at 760 mmHg; (18)Vapour Pressure: 3.57E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCCCCCCCCCc1ccsc1
(2) InChI: InChI=1/C18H32S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19-17-18/h15-17H,2-14H2,1H3
(3) InChIKey: CAEIOINMYGTXNS-UHFFFAOYAB