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CAS No.: | 67989-40-6 |
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Name: | Alcohols, C11-15-secondary |
Molecular Structure: | |
Formula: | C13H28O |
Molecular Weight: | 200.3608 |
Synonyms: | 2-Tridecanol; |
EINECS: | 268-011-5 |
Density: | 0.831 g/cm3 |
Boiling Point: | 257.3 °C at 760 mmHg |
Flash Point: | 102.3 °C |
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The Tridecan-2-ol, with the CAS registry number 67989-40-6, is also known as 2-Tridecanol. Its EINECS registry number is 268-011-5. This chemical's molecular formula is C13H28O and molecular weight is 200.3608. What's more, its IUPAC name is Tridecan-2-ol. And this chemical's classification code is TSCA UVCB.
Physical properties about Tridecan-2-ol are: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.47; (4)ACD/LogD (pH 7.4): 5.47; (5)ACD/BCF (pH 5.5): 8507.19; (6)ACD/BCF (pH 7.4): 8507.19; (7)ACD/KOC (pH 5.5): 22622.02; (8)ACD/KOC (pH 7.4): 22622.02; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 63.76 cm3; (15)Molar Volume: 241 cm3; (16)Polarizability: 25.28×10-24 cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.831 g/cm3; (19)Flash Point: 102.3 °C; (20)Enthalpy of Vaporization: 57.48 kJ/mol; (21)Boiling Point: 257.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00219 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCCCCCCCCCC)C
(2) InChI: InChI=1/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
(3) InChIKey: HKOLRKVMHVYNGG-UHFFFAOYAM