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| CAS No.: | 18229-17-9 |
|---|---|
| Name: | 8-hydroxytetradecan-7-one |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C14H28O2 |
| Molecular Weight: | 228.375 |
| Synonyms: | 8-Hydroxy-7-tetradecanone;Heptanoin; |
| EINECS: | 242-109-8 |
| Density: | 0.896g/cm3 |
| Boiling Point: | 263.2 °C at 760 mmHg |
| Flash Point: | 109.3 °C |
| PSA: | 37.30000 |
| LogP: | 3.85720 |
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Specification
The 7-Tetradecanone,8-hydroxy-, with CAS registry number 18229-17-9, has the systematic name of 8-hydroxytetradecan-7-one. Besides this, it is also called 8-Hydroxy-7-tetradecanone. And the chemical formula of this chemical is C14H28O2. What's more, its EINECS is 242-109-8.
Physical properties of 7-Tetradecanone,8-hydroxy-: (1)ACD/LogP: 4.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.88; (4)ACD/LogD (pH 7.4): 4.88; (5)ACD/BCF (pH 5.5): 3016.43; (6)ACD/BCF (pH 7.4): 3016.43; (7)ACD/KOC (pH 5.5): 10770.01; (8)ACD/KOC (pH 7.4): 10770; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 68.43 cm3; (15)Molar Volume: 254.6 cm3; (16)Polarizability: 27.12×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.896 g/cm3; (19)Flash Point: 109.3 °C; (20)Enthalpy of Vaporization: 58.19 kJ/mol; (21)Boiling Point: 263.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00147 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(O)CCCCCC)CCCCCC
(2)InChI: InChI=1/C14H28O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13,15H,3-12H2,1-2H3
(3)InChIKey: PQESRTWBQJRGON-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H28O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13,15H,3-12H2,1-2H3
(5)Std. InChIKey: PQESRTWBQJRGON-UHFFFAOYSA-N