Dodec-2-ynoic acid supplier | CasNO.36143-29-0

Name
Dodec-2-ynoic acid
EINECS
CAS No. 36143-29-0
Density 0.959 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₀O₂
Boiling Point 320.1 °C at 760 mmHg
Molecular Weight 196.286
Flash Point 161.6 °C
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Synonyms
PSA
LogP

Dodec-2-ynoic acid Specification

The Dodec-2-ynoic acid, with the CAS registry number 36143-29-0, is also known as 2-Dodecynoic acid. This chemical's molecular formula is C₁₂H₂₀O₂ and molecular weight is 196.286. What's more, its systematic name is called Dodec-2-ynoic acid.

Physical properties about Dodec-2-ynoic acid are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 8.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.42; (8)ACD/KOC (pH 7.4): 2.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 57.21 cm³; (15)Molar Volume: 204.5 cm³; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 0.959 g/cm³; (18)Flash Point: 161.6 °C; (19)Enthalpy of Vaporization: 61.76 kJ/mol; (20)Boiling Point: 320.1 °C at 760 mmHg; (21)Vapour Pressure: 6.78E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C#CCCCCCCCCC)O
(2) InChI: InChI=1/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-9H2,1H3,(H,13,14)
(3) InChIKey: YJDGZMNYNLBUNV-UHFFFAOYAC

Product Name

Dodec-2-ynoic acid

Dodec-2-ynoic acid Specification

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