chempirical

1-Butene

C4H8CAS 106-98-956.11 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C4H8
Molar mass
56.11 g/mol
Exact mass
56.0626 Da
Density
0.577 g/mL (at 25 °C)
Melting point
−185 °C
Boiling point
−6.47 °C
Flash point
-78.9 °C
Water solubility
221 mg/L (25 °C)
logP
1.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Compressed Gas (GHS04)

Harmonised EU classification (CLP Annex VI, index 601-012-00-4[1]), via PubChem.

Precautionary statements

P203, P210, P222, P280, P377, P381, P403

Identifiers

CAS number
106-98-9
SMILES
C=CCC
InChIKey
VXNZUUAINFGPBY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3

Weigh it out

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

Names and synonyms

6 names
  • Butene-1
  • α-Butylene
  • 1-Butylene
  • Ethylethylene
  • α-Butene
  • 2-Butylene

Work with 1-Butene

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

Pentene109-67-144 % similar 4,4-Dimethyl-1-hexene1647-08-141 % similar Hexadiene42296-74-240 % similar 1,4-Pentadiene591-93-540 % similar 1-Hexene592-41-640 % similar 1,5-Hexadiene592-42-740 % similar 3-Hexene592-47-240 % similar 1,3-Hexadiene592-48-340 % similar

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

Same formula

But-2-ene107-01-7 Isobutylene115-11-7 cis-2-Butene590-18-1 trans-2-Butene624-64-6 Polyisobutene9003-27-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia