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| CAS No.: | 55928-65-9 |
|---|---|
| Name: | (2Z)-2-Dodecenoic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H22O2 |
| Molecular Weight: | 198.305 |
| Synonyms: | 2-Dodecenoic acid, (2Z)- |
| EINECS: | 662-796-1 |
| Density: | 0.922 g/cm3 |
| Boiling Point: | 311.7 °C at 760 mmHg |
| Flash Point: | 216.6 °C |
| Hazard Symbols: | Xi,N |
| Risk Codes: | 41-51/53 |
| Safety: | 26-39-61 |
| PSA: | 37.30000 |
| LogP: | 3.76790 |
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Specification
The 2-Dodecenoic acid, (2Z)-, also known as (Z)-2-Dodecenoic acid, is the organic compound with the formula C12H22O2. With the CAS registry number 55928-65-9, its systematic name is (2Z)-dodec-2-enoic acid.
Physical properties of 2-Dodecenoic acid, (2Z)-: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 667.46; (6)ACD/BCF (pH 7.4): 10.74; (7)ACD/KOC (pH 5.5): 2187.71; (8)ACD/KOC (pH 7.4): 35.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 59.26 cm3; (14)Molar Volume: 214.8 cm3; (15)Surface Tension: 33.9 dyne/cm; (16)Density: 0.922 g/cm3; (17)Flash Point: 216.6 °C; (18)Enthalpy of Vaporization: 60.78 kJ/mol; (19)Boiling Point: 311.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000121 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/CCCCCCCCC
(2)InChI: InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10-
(3)InChIKey: PAWGRNGPMLVJQH-KHPPLWFEBT