Tridecylic acid

Tridecylic acid

Names
IUPAC name Tridecanoic acid
Other names C13:0 (Lipid numbers)
Identifiers
CAS Number	638-53-9
3D model (Jmol)	Interactive image
ChemSpider	12013 Y 12013
ECHA InfoCard	100.010.311
EC Number	211-341-1
PubChem CID	12530
RTECS number	YD3850000
InChI InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15) Y Key: SZHOJFHSIKHZHA-UHFFFAOYSA-N Y
SMILES O=C(O)CCCCCCCCCCCC
Properties
Chemical formula	C13H26O2
Molar mass	214.35 g·mol−1
Appearance	White crystals or powder
Odor	Waxy-type
Density	0.983 g/cm3 (37 °C) 0.8458 g/cm3 (80 °C)
Melting point	41.5 °C (106.7 °F; 314.6 K)
Boiling point	236 °C (457 °F; 509 K) at 100 mmHg 140 °C (284 °F; 413 K) at 1 mmHg
Solubility in water	21 mg/L (0 °C) 33 mg/L (20 °C) 38 mg/L (30 °C) 53 mg/L (60 °C)
Solubility	Soluble in alcohol, ether, CH3COOH
Solubility in acetone	7.52 g/100 g (0 °C) 78.6 g/100 g (20 °C) 316 g/100 g (30 °C) 8.23 kg/100 g (40 °C)
Solubility in methanol	12.6 g/100 g (0 °C) 148 g/100 g (20 °C) 515 g/100 g (30 °C)
Solubility in benzene	42.4 g/100 g (10 °C) 117 g/100 g (20 °C) 354 g/100 g (30 °C)
Solubility in ethyl acetate	10.1 g/100 g (0 °C) 70 g/100 g (20 °C) 281 g/100 g (30 °C)
Vapor pressure	0.01 kPa (109 °C) 0.47 kPa (160 °C) 3.21 kPa (200 °C) 100 kPa (311.5 °C)
Refractive index (nD)	1.4286 (50 °C)
Viscosity	0.583 cP (120 °C) 0.3991 cP (160 °C) 0.2934 cP (200 °C)
Structure
Crystal structure	Monoclinic (37 °C)
Space group	C2/c
Lattice constant	a = 59.88 Å, b = 4.9425 Å, c = 9.8118 Å α = 90°, β = 93.8°, γ = 90°
Thermochemistry
Specific heat capacity (C)	387.6 J/mol·K
Std enthalpy of formation (ΔfHo298)	−807.2 kJ/mol (liquid)
Std enthalpy of combustion (ΔcHo298)	8024.2 kJ/mol (liquid)
Hazards
Main hazards	Irritant
GHS pictograms
GHS signal word	Warning
GHS hazard statements	H315, H319, H335
GHS precautionary statements	P261, P305+351+338
EU classification (DSD)	Xi
R-phrases	R36/37/38
S-phrases	S26, S36
NFPA 704	1 2 0
Flash point	113 °C (235 °F; 386 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	130 mg/kg (mice, intravenous)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y  (what is YN ?)
Infobox references

Tridecylic acid, or tridecanoic acid, is a 13-carbon saturated fatty acid with the chemical formula CH₃(CH₂)₁₁COOH. It is commonly found in dairy products.