Tridecanol

• Catalog Number: ACM112709
• Product Name: Tridecanol
• CAS: 112-70-9
• Category: Main Products
• Description: Tridecanol is an oily liquid; colorless; mild, pleasant odor. Floats on water. (USCG, 1999);Liquid;Solid;Solid;COLOURLESS OILY LIQUID OR CRYSTALS.
• Synonyms: Tridecyl alcohol
• 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)
• 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
• Alcohol: Tridecanol
• Autoignition Temperature: 260 °C
• CNo.Chain: C13:0
• Color/Form: WATER WHITE LIQ;Crystals from alcohol
• Complexity: 91.2
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 279-420-3;203-998-8;607-896-8
• Exact Mass: 200.214016g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 14
• ICSC Number: 1176
• LogP: log Kow = 5.82;8.52
• 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)
• Physical State: Solid
• Rotatable Bond Count: 11
• 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

Custom Q&A

What is the molecular formula of 1-Tridecanol?

The molecular formula of 1-Tridecanol is C13H28O.

What is the molecular weight of 1-Tridecanol?

The molecular weight of 1-Tridecanol is 200.36 g/mol.

What is the IUPAC name of 1-Tridecanol?

The IUPAC name of 1-Tridecanol is tridecan-1-ol.

What is the InChI of 1-Tridecanol?

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

What is the InChIKey of 1-Tridecanol?

The InChIKey of 1-Tridecanol is XFRVVPUIAFSTFO-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Tridecanol?

The canonical SMILES of 1-Tridecanol is CCCCCCCCCCCCCO.

What is the CAS number of 1-Tridecanol?

The CAS number of 1-Tridecanol is 112-70-9.

What is the ChEBI ID of 1-Tridecanol?

There is no ChEBI ID provided for 1-Tridecanol in the reference.

What is the UNII of 1-Tridecanol?

The UNII of 1-Tridecanol is 8I9428H868.

What is the Wikipedia page for 1-Tridecanol?

The Wikipedia page for 1-Tridecanol is "1-Tridecanol".