1-Pentyne
Properties
- Molecular formula
- C5H8
- Molar mass
- 68.12 g/mol
- Exact mass
- 68.0626 Da
- Density
- 0.6945 g/mL (at 20 °C)
- Melting point
- −90 °C
- Boiling point
- 40.1 °C
- logP
- 1.42Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor98.1% of notifiers
- H304 May be fatal if swallowed and enters airways94.3% of notifiers
- H315 Causes skin irritation81.1% of notifiers
- H319 Causes serious eye irritation81.1% of notifiers
- H335 May cause respiratory irritation81.1% of notifiers
Aggregated from 53 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, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
627-19-0SMILES
C#CCCCInChIKey
IBXNCJKFFQIKKY-UHFFFAOYSA-NInChI
InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 1-Pentine
- Propylacetylene
Work with 1-Pentyne
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-Hexyne693-02-767 % similar
1-Heptyne628-71-763 % similar
1-Undecyne2243-98-360 % similar
1-Heptadecyne26186-00-560 % similar
1-Tridecyne26186-02-760 % similar
1-Nonyne3452-09-360 % similar
1-Octyne629-05-060 % similar
1-Hexadecyne629-74-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds