1,4-Pentadiene

C₅H₈CAS 591-93-568.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈
Molar mass: 68.12 g/mol
Exact mass: 68.0626 Da
Density: 0.6594 g/mL (at 20 °C)
Melting point: −148.8 °C
Boiling point: 26 °C
Flash point: 4.4 °C
logP: 1.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H224 Extremely flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways87.2% 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, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

591-93-5

SMILES

C=CCC=C

InChIKey

QYZLKGVUSQXAMU-UHFFFAOYSA-N

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2

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Names and synonyms

1 names

NSC 73902

Reactions

1,4-Pentadiene (I. Method A)product

Work with 1,4-Pentadiene

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

1,5-Hexadiene592-42-750 % similar 1,4-Hexadiene592-45-050 % similar 1,6-Heptadiene3070-53-943 % similar 1,7-Octadiene3710-30-343 % similar Triallylamine102-70-540 % similar Allyl bromide106-95-640 % similar 1-Butene106-98-940 % similar Allyl chloride107-05-140 % similar

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

Same formula

Cyclopentene142-29-0 Housane185-94-4 trans-1,3-Pentadiene2004-70-8 Piperylene504-60-9 3-Methylbut-1-yne598-23-2 3-Methyl-1,2-butadiene598-25-4 1-Pentyne627-19-0 2-Pentyne627-21-4

Elsewhere

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