1-Decyne
Properties
- Molecular formula
- C10H18
- Molar mass
- 138.25 g/mol
- Exact mass
- 138.1409 Da
- Density
- 0.79 g/mL
- Melting point
- −44 °C
- Boiling point
- 174 °C
- logP
- 3.37Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 6
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation85.1% of notifiers
- H318 Causes serious eye damage83% of notifiers
- H335 May cause respiratory irritation83% of notifiers
- H400 Very toxic to aquatic life83% of notifiers
- H410 Very toxic to aquatic life with long lasting effects83% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
764-93-2SMILES
C#CCCCCCCCCInChIKey
ILLHQJIJCRNRCJ-UHFFFAOYSA-NInChI
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Octylacetylene
- n-Octylacetylene
Work with 1-Decyne
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-Undecyne2243-98-3100 % similar
1-Heptadecyne26186-00-5100 % similar
1-Tridecyne26186-02-7100 % similar
1-Nonyne3452-09-3100 % similar
1-Octyne629-05-0100 % similar
1-Hexadecyne629-74-3100 % similar
1-Octadecyne629-89-0100 % similar
1-Dodecyne765-03-7100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.