4-Tridecanol

The 4-Tridecanol, with CAS registry number 26215-92-9, has the systematic name of tridecan-4-ol. Its molecular weight is 200.36. And the chemical formula of this chemical is C₁₃H₂₈O. What's more, its EINECS is 247-520-6.

Physical properties of 4-Tridecanol: (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^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.831 g/cm³; (19)Flash Point: 105.5 °C; (20)Enthalpy of Vaporization: 57.9 kJ/mol; (21)Boiling Point: 260.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00173 mmHg at 25°C.

Uses of 4-Tridecanol: it can be used to produce tridecan-4-one. This reaction will need reagents O₂, TEMPO, Me₂S and solvent chlorobenzene. The reaction time is 17 hour(s) with reaction temperature of 90 ℃. The yield is about 31%.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCCCCCCCC)CCC
(2)InChI: InChI=1/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3
(3)InChIKey: VHNLHPIEIIHMHH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H28O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13-14H,3-12H2,1-2H3
(5)Std. InChIKey: VHNLHPIEIIHMHH-UHFFFAOYSA-N