CAS 112-70-9 Tridecanol - Materials / Alfa Chemistry

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Tridecanol

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Catalog Number

ACM112709

CAS Number

112-70-9

Product Name

Tridecanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

Tridecyl alcohol

Description

Tridecanol is an oily liquid; colorless; mild, pleasant odor. Floats on water. (USCG, 1999);Liquid;Solid;Solid;COLOURLESS OILY LIQUID OR CRYSTALS.

IUPAC Name

tridecan-1-ol

Molecular Weight

200.33

Molecular Formula

C13H28O

Canonical SMILES

CCCCCCCCCCCCCO

InChI

InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

InChI Key

XFRVVPUIAFSTFO-UHFFFAOYSA-N

Boiling Point

155-156 °C 15 mmHg (lit.)

Melting Point

29-34 °C (lit.)

Flash Point

250 °F (USCG, 1999);250 °F (121 °C) (Open cup);121 °C o.c. (mixed isomers)

Purity

99%+

Density

0.846 at 68 °F (USCG, 1999);0.8223 at 31 °C/4 °C;Relative density (water = 1): 0.8

Solubility

Sol in ethanol, ether;In water, 1.4 mg/L at 25 °C (est);Solubility in water, g/100ml at 20 °C: 0.01 (very poor)

Appearance

Solid

Storage

Room temperature

Color/Form

WATER WHITE LIQ;Crystals from alcohol

Complexity

91.2

Covalently-Bonded Unit Count

EC Number

279-420-3;203-998-8;607-896-8

Exact Mass

200.214016g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1176

Log P

log Kow = 5.82;8.52

MeSH Entry Terms

1-tridecanol;1-tridecanol, trialuminum salt;1-tridecyl alcohol;n-tridecanol

Monoisotopic Mass

200.214016g/mol

NSC Number

5252

Odor

PLEASANT ODOR

Other Experimental

INSOL IN WATER; SOL IN ALCOHOL & IN ETHER /1-TRIDECANOL/;VAPOR DENSITY: 6.9 (AIR= 1) /COMMERCIAL MIXTURE/;Low-melting white solid; pleasant odor. BP: 274 °C, MP: 31 °C, density = 0.845 at 20 °C/20 °C. Bulk density 7.0 lb/gal /Commercial mixture of isomers/;COLORLESS OILY LIQ; MILD PLEASANT ODOR; LIQUID SURFACE TENSION: (EST) 30 DYNES/CM= 0.03 N/M @ 20 °C; LIQUID-WATER INTERFACIAL TENSION: (EST) 30 DYNES/CM= 0.03 N/M @ 20 °C; RATIO OF SPECIFIC HEATS OF VAPOR (GAS): 1.027; LATENT HEAT OF VAPORIZATION: 120 BTU/LB= 64 CAL/G= 2.7X10+5 JOULES/KG; HEAT OF COMBUSTION: (EST) -12,200 BTU/LB= -6,790 CAL/G= -284X10+5 JOULES/KG /MIXED ISOMERS/;Liquid molar volume = 0.242006 cu m/kmol (determined at the triple point).;IG Heat of Formation = -4.6346X10+8 J/kmol;Heat Fusion at Melting point = 4.5120X10+7 J/kmol (for the beta form);Henry's Law constant = 1.3X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.96X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

YD4200000

UNII

8I9428H868

Vapor Density

6.9 (Air = 1);Relative vapor density (air = 1): 6.9

Vapor Pressure

3.62 mm Hg at 260 °F (USCG, 1999);4.36e-04 mmHg;4.36X10-4 mm Hg at 25 °C

XLogP3

5.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Case Study

1-Tridedecanol Modified n-Dodecane for Extraction of Vanadium

Vanadium extracted by trioctylamine in n-dodecane modified with 1-tridecanol. Chagnes, Alexandre, et al. Hydrometallurgy, 2010, 104(1), 20-24.

Vanadium(V) extraction from acidic sulfate media was achieved using protonated trioctylamine in n-dodecane modified with 5% (wt) 1-tridecanol.
Experimental procedures and results
· The work examined the speciation of vanadium (V) extracted from acidic sulfate media using protonated trioctylamine in n-dodecane modified with 5% (wt) 1-tridecanol, through Fourier transform infrared spectroscopy (FTIR) and 51V nuclear resonance spectroscopy (51V NMR).
· In solutions containing 0.02-0.1 mol/kg vanadium (V) in 0.2-1 mol/kg HClO4, the presence of VO2+ was detected by 51V NMR. In similar acidic conditions but in H2SO4 media, speciation calculations suggest the coexistence of VO2+ and VO2SO4- in the aqueous phase, despite the observation of a unique 51V NMR signal at -545 ppm similar to the HClO4 solution, along with a vibration band at 998 cm-1.
· The FTIR spectra of 0.2 mol/kg protonated trioctylamine in n-dodecane modified with 5% (wt) 1-tridecanol, loaded with varying concentrations of vanadium (V) extracted from 1 mol/kg H2SO4, indicate the presence of vanadium (V) in organic phases as likely polyvanadates, such as decavanadates. The 51V NMR did not confirm or rule out this finding, as the micellar structure of the organic phases affects the chemical shift of the extracted species.

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