Cas no 63671-71-6 (Propanoic acid, 2-mercapto-, octyl ester)
63671-71-6 structure
Product Name:Propanoic acid, 2-mercapto-, octyl ester
CAS No:63671-71-6
MF:C11H22O2S
MW:218.356182575226
CID:1655967
Update Time:2024-09-12
Propanoic acid, 2-mercapto-, octyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 2-mercapto-, octyl ester
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- Inchi: 1S/C11H22O2S/c1-3-4-5-6-7-8-9-13-11(12)10(2)14/h10,14H,3-9H2,1-2H3
- InChI Key: SFHANYOFMGEJCT-UHFFFAOYSA-N
- SMILES: C(OCCCCCCCC)(=O)C(S)C
Computed Properties
- Exact Mass: 218.13416
Experimental Properties
- Density: 0.957±0.06 g/cm3(Predicted)
- Boiling Point: 288.6±13.0 °C(Predicted)
- PSA: 26.3
- pka: 8.41±0.10(Predicted)
Propanoic acid, 2-mercapto-, octyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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