Cas no 32042-39-0 (prop-2-yn-1-yl formate)
prop-2-yn-1-yl formate structure
Product Name:prop-2-yn-1-yl formate
CAS No:32042-39-0
MF:C4H4O2
MW:84.0733613967896
CID:1449824
PubChem ID:12386877
Update Time:2025-04-20
prop-2-yn-1-yl formate Chemical and Physical Properties
Names and Identifiers
-
- prop-2-yn-1-yl formate
- 2-propyn-1-ol, formate
- LogP
- formic acid prop-2-ynyl ester
- 32042-39-0
- 2-propynyl formate
- 2-Propyn-1-yl formate
- DTXSID301031283
-
- Inchi： 1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2
- InChI Key： KDIDLLIMHZHOHO-UHFFFAOYSA-N
- SMILES： O(C=O)CC#C
Computed Properties
- Exact Mass: 84.02112
- Monoisotopic Mass: 84.021129366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 76.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.025
- Boiling Point: 93.1°C at 760 mmHg
- Flash Point: 10.9°C
- Refractive Index: 1.41
- PSA: 26.3
prop-2-yn-1-yl formate Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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