-
Name
3-N-OCTADECYLTHIOPHENE
- EINECS
- CAS No. 104934-54-5
- Article Data5
- CAS DataBase
- Density 0.895 g/cm3
- Solubility
- Melting Point 36 °C
- Formula C22H40S
- Boiling Point 422.8 °C at 760 mmHg
- Molecular Weight 336.626
- Flash Point 157.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes R20/21/22; R32; R34
-
Molecular Structure
-
Hazard Symbols
C,
Xi
- Synonyms 3-Octadecylthiophene;
- PSA 28.24000
- LogP 8.55210
Thiophene, 3-octadecyl- Specification
The Thiophene, 3-octadecyl-, with CAS registry number 104934-54-5, belongs to the following product categories: (1)3-Alkylthiophenes (for Conduting Polymer Research); (2)Functional Materials; (3)Reagents for Conducting Polymer Research. It has the systematic name of 3-octadecylthiophene. And the chemical formula of this chemical is C22H40S.
Physical properties of Thiophene, 3-octadecyl-: (1)ACD/LogP: 11.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.39; (4)ACD/LogD (pH 7.4): 11.39; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 108.31 cm3; (15)Molar Volume: 375.8 cm3; (16)Polarizability: 42.93×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.895 g/cm3; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 65.08 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 5.79E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc(c1)CCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3
(3)InChIKey: ARFJPHXJBIEWSZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3
(5)Std. InChIKey: ARFJPHXJBIEWSZ-UHFFFAOYSA-N
Related Products
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- Thiophene, 3-ethenyl-
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- Thiophene, 3-octadecyl-
- Thiophene, 3-pentyl-
- Thiophene, 3-propyl-
- Thiophene, trichloro-(6CI,8CI,9CI)
- Thiophene,2-(1,1-dimethylethoxy)-
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