Cas no 3073-92-5 (Butane, 1-propoxy-)
Butane, 1-propoxy- structure
Product Name:Butane, 1-propoxy-
Butane, 1-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Butane, 1-propoxy-
- 1-propoxy-Butane
- Butyl propyl ether
- Ether, butyl propyl
- DTXSID60184754
- 1-Propoxybutane #
- 3073-92-5
- YGZQJYIITOMTMD-UHFFFAOYSA-N
- InChI=1/C7H16O/c1-3-5-7-8-6-4-2/h3-7H2,1-2H
- propyl butyl ether
- Q63396204
- n-propyl n-butyl ether
- 1-Propoxybutane
- SCHEMBL76380
-
- Inchi： 1S/C7H16O/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3
- InChI Key： YGZQJYIITOMTMD-UHFFFAOYSA-N
- SMILES： O(CCC)CCCC
Computed Properties
- Exact Mass: 116.12018
- Monoisotopic Mass: 116.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 35.4
- 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: 2.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 0.7684 (estimate)
- Melting Point: -95.35°C (estimate)
- Boiling Point: 117.15°C
- Flash Point: 15.6°C
- Refractive Index: 1.3915 (estimate)
- PSA: 9.23
Butane, 1-propoxy- Related Literature
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1. Use of a neural network to determine the normal boiling points of acyclic ethers, peroxides, acetals and their sulfur analoguesDriss Cherqaoui,Didier Villemin,Abdelhalim Mesbah,Jean-Michel Cense,Vladimir Kvasnicka J. Chem. Soc. Faraday Trans. 1994 90 2015
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2. Production of jet and diesel fuel range alkanes from waste hemicellulose-derived aqueous solutionsRong Xing,Ayyagari V. Subrahmanyam,Hakan Olcay,Wei Qi,G. Peter van Walsum,Hemant Pendse,George W. Huber Green Chem. 2010 12 1933
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I. Delidovich,K. Leonhard,R. Palkovits Energy Environ. Sci. 2014 7 2803
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Angel S. W. Lo,István. T. Horváth Green Chem. 2015 17 4701
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Bogdan C. Ib?nescu,Michael Allan Phys. Chem. Chem. Phys. 2009 11 7640
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