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

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Solubility Enhancing Reagents

Tridecanol

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Catalog Number

ACM112709

Product Name

Tridecanol

Structure

CAS

112-70-9

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