12-Tridecenoic acid supplier

Name
12-TRIDECANOIC ACID
EINECS
CAS No. 6006-06-0
Article Data8
CAS DataBase
Density 0.911g/cm³
Solubility
Melting Point 38.5°C
Formula C₁₃H₂₄O₂
Boiling Point 319.6 °C at 760 mmHg
Molecular Weight 212.332
Flash Point 216.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms (10-Undecenyl)aceticacid;w-Tridecenoic acid;
PSA 37.30000
LogP 4.15800

12-Tridecenoic acid Specification

The 12-Tridecenoic acid, with CAS registry number 6006-06-0, belongs to the following product categories: Miscellaneous Natural Products. It has the systematic name of tridec-12-enoic acid. And the chemical formula of this chemical is C₁₃H₂₄O₂.

Physical properties of 12-Tridecenoic acid: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 647.72; (6)ACD/BCF (pH 7.4): 10.39; (7)ACD/KOC (pH 5.5): 2126.69; (8)ACD/KOC (pH 7.4): 34.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 63.56 cm³; (15)Molar Volume: 232.8 cm³; (16)Polarizability: 25.19×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 216.7 °C; (20)Enthalpy of Vaporization: 61.71 kJ/mol; (21)Boiling Point: 319.6 °C at 760 mmHg; (22)Vapour Pressure: 7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCC\C=C
(2)InChI: InChI=1/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
(3)InChIKey: PARCICAYFORNPH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2H,1,3-12H2,(H,14,15)
(5)Std. InChIKey: PARCICAYFORNPH-UHFFFAOYSA-N

Product Name

12-TRIDECANOIC ACID

12-Tridecenoic acid Specification

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