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Name |
4-Tridecanol |
EINECS | 247-520-6 |
CAS No. | 26215-92-9 | Density | 0.831g/cm3 |
PSA | 20.23000 | LogP | 4.28810 |
Solubility | N/A | Melting Point |
26.15°C (estimate) |
Formula | C13H28O | Boiling Point | 260.8 °C at 760 mmHg |
Molecular Weight | 200.365 | Flash Point | 105.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 158507; |
Article Data | 4 |
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