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Substance Name: Chloroheptanes
RN: 29756-37-4
InChIKey: ZJZKJKICQQSDQN-UHFFFAOYSA-N

Molecular Weight

  • 538.594
 
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Names and Synonyms

  • Chloroheptanes

Registry Numbers

CAS Registry Number

  • 29756-37-4

System Generated Number

  • 0029756374

Structure Descriptors

InChI

1S/4C7H15Cl/c1-3-4-5-6-7(2)8;1-3-5-6-7(8)4-2;1-3-5-7(8)6-4-2;1-2-3-4-5-6-7-8/h3*7H,3-6H2,1-2H3;2-7H2,1H3

InChIKey

ZJZKJKICQQSDQN-UHFFFAOYSA-N

Smiles

C(CCC)(Cl)CCC.C(CCC)[C@@H](CC)Cl.C(C[C@@H](C)Cl)CCC.C(CCCCl)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.960 (none)   EST
Water Solubility 36.6 mg/L 25 EST
Vapor Pressure 9.110 mm Hg 25 EST
Henry's Law Constant 0.045 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.51E-12 cm3/molecule-sec 25 EST

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