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Substance Name: Dimethyl octynediol
RN: 1321-87-5
InChIKey: PJPLCJSIRCGAPJ-UHFFFAOYSA-N

Molecular Weight

  • 170.2502
 
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Names and Synonyms

  • Dimethyl octynediol

Registry Numbers

CAS Registry Number

  • 1321-87-5

System Generated Number

  • 0001321875

Structure Descriptors

InChI

1S/C10H18O2/c1-5-7(2)8(3)6-10(12)9(4)11/h1,7-12H,6H2,2-4H3

InChIKey

PJPLCJSIRCGAPJ-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C#C)C)C)[C@@H]([C@@H](C)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.660 (none)   EST
Water Solubility 2330 mg/L 25 EST
Vapor Pressure 9.71E-04 mm Hg 25 EST
Henry's Law Constant 1.56E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.31E-11 cm3/molecule-sec 25 EST

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