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| CAS No.: | 32602-69-0 |
|---|---|
| Name: | 3-HYDROXYTRIDECANOIC ACID |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C13H26O3 |
| Molecular Weight: | 230.348 |
| Synonyms: | b-Hydroxytridecanoic acid;3-Hydroxytridecanoicacid; |
| Density: | 0.977 g/cm3 |
| Melting Point: | 79 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 362.6 °C at 760 mmHg |
| Flash Point: | 187.3 °C |
| PSA: | 57.53000 |
| LogP: | 3.35280 |
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Specification
This chemical is called Tridecanoic acid, 3-hydroxy-, and its systematic name is 3-hydroxytridecanoic acid. With the molecular formula of C13H26O3, its molecular weight is 230.34. The CAS registry number of this chemical is 32602-69-0.
Other characteristics of the Tridecanoic acid, 3-hydroxy- can be summarised as followings: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 19.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 131.62; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 65.33 cm3; (15)Molar Volume: 235.6 cm3; (16)Polarizability: 25.9×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 70.43 kJ/mol; (21)Boiling Point: 362.6 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)CCCCCCCCCC
2.InChI: InChI=1/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
3.InChIKey: CWSNHZHHWHLJIM-UHFFFAOYAP