chempirical

1-Chlorodecane

C10H21ClCAS 1002-69-3176.73 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C10H21Cl
Molar mass
176.73 g/mol
Exact mass
176.1332 Da
Density
0.8696 g/mL (at 20 °C)
Melting point
−31.3 °C
Boiling point
223.4 °C
logP
4.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Identifiers

CAS number
1002-69-3
SMILES
CCCCCCCCCCCl
InChIKey
ZTEHOZMYMCEYRM-UHFFFAOYSA-N
InChI
InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Decane, 1-chloro-
  • Decyl chloride
  • n-Decyl chloride
  • NSC 6088

Work with 1-Chlorodecane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chlorooctane111-85-3100 % similar 1-Chlorododecane112-52-7100 % similar 1-Chlorotetradecane2425-54-9100 % similar 1-Chlorononane2473-01-0100 % similar 1-Chlorooctadecane3386-33-2100 % similar 1-Chlorohexadecane4860-03-1100 % similar 1-Chlorohexane544-10-5100 % similar 1-Chloroheptane629-06-1100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook