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| CAS No.: | 624-08-8 |
|---|---|
| Name: | 9-Heptadecanol |
| Molecular Structure: | |
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| Formula: | C17H36O |
| Molecular Weight: | 256.472 |
| Synonyms: | 9-HEPTADECANOL;NISTC624088;Heptadecan-9-ol |
| Density: | 0.835 g/cm3 |
| Melting Point: | 58.0 to 62.0 °C |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 122 °C |
| PSA: | 20.23000 |
| LogP: | 5.84850 |
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Specification
The 9-Heptadecanol is an organic compound with the formula C17H36O. With the CAS registry number 624-08-8, the IUPAC name of this chemical is heptadecan-9-ol.
Physical properties about 9-Heptadecanol are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.6; (4)ACD/LogD (pH 7.4): 7.6; (5)ACD/BCF (pH 5.5): 350824.72; (6)ACD/BCF (pH 7.4): 350824.72; (7)ACD/KOC (pH 5.5): 324152.13; (8)ACD/KOC (pH 7.4): 324152.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 82.3 cm3; (15)Molar Volume: 307 cm3; (16)Polarizability: 32.62×10-24cm3; (17)Surface Tension: 30.6 dyne/cm; (18)Density: 0.835 g/cm3; (19)Flash Point: 122 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 3.05E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCCCC)CCCCCCCC
(2)InChI: InChI=1/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
(3)InChIKey: WTWWTKPAEZQYPW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C17H36O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
(5)Std. InChIKey: WTWWTKPAEZQYPW-UHFFFAOYSA-N