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CAS No.: | 6006-06-0 |
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Name: | 12-TRIDECANOIC ACID |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H24O2 |
Molecular Weight: | 212.332 |
Synonyms: | (10-Undecenyl)aceticacid;w-Tridecenoic acid; |
Density: | 0.911g/cm3 |
Melting Point: | 38.5°C |
Boiling Point: | 319.6 °C at 760 mmHg |
Flash Point: | 216.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 37.30000 |
LogP: | 4.15800 |
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