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Substance Name: Pentan-2-yl nitrate
RN: 21981-48-6
InChIKey: RWRBSYOTDDOXKC-UHFFFAOYSA-N

Molecular Formula

  • C5-H11-N-O3

Molecular Weight

  • 133.146
 
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Names and Synonyms

  • Pentan-2-yl nitrate

Registry Numbers

CAS Registry Number

  • 21981-48-6

System Generated Number

  • 0021981486

Structure Descriptors

InChI

1S/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3

InChIKey

RWRBSYOTDDOXKC-UHFFFAOYSA-N

Smiles

O=[N+]([O-])O[C@@H](C)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 144 deg C   EXP
log P (octanol-water) 2.650 (none)   EST
Water Solubility 440 mg/L 25 EXP
Vapor Pressure 5.13 mm Hg 25 EXP
Henry's Law Constant 0.00298 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.85E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.