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| CAS No.: | 14752-75-1 |
|---|---|
| Name: | 1-PHENYLHEPTADECANE |
| Molecular Structure: | |
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| Formula: | C23H40 |
| Molecular Weight: | 316.571 |
| Synonyms: | Heptadecane,1-phenyl- (8CI);Heptadecylbenzene;Heptadecylbenzol; |
| EINECS: | 238-812-4 |
| Density: | 0.855 g/cm3 |
| Melting Point: | 32-38 °C |
| Boiling Point: | 397 °C at 760 mmHg |
| Flash Point: | 180.2 °C |
| Safety: | 24/25 |
| PSA: | 0.00000 |
| LogP: | 8.10050 |
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Specification
The Benzene, heptadecyl- is an organic compound with the formula C23H40. The IUPAC name of this chemical is heptadecylbenzene. With the CAS registry number 14752-75-1, it is also named as 1-Phenylheptadecane.
Physical properties about Benzene, heptadecyl- are: (1)ACD/LogP: 11.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.18; (4)ACD/LogD (pH 7.4): 11.18; (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)#Freely Rotating Bonds: 16; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 105.29 cm3; (12)Molar Volume: 369.8 cm3; (13)Polarizability: 41.74×10-24cm3; (14)Surface Tension: 32.1 dyne/cm; (15)Density: 0.855 g/cm3; (16)Flash Point: 180.2 °C; (17)Enthalpy of Vaporization: 62.21 kJ/mol; (18)Boiling Point: 397 °C at 760 mmHg; (19)Vapour Pressure: 3.76E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
(3)InChIKey: ZMPPFNHWXMJARX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
(5)Std. InChIKey: ZMPPFNHWXMJARX-UHFFFAOYSA-N