Decanoyl chloride
Properties
- Molecular formula
- C10H19ClO
- Molar mass
- 190.71 g/mol
- Exact mass
- 190.1124 Da
- Melting point
- −34.5 °C
- Boiling point
- 95 °C
- logP
- 3.89Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 8
Hazards
Danger
- H290 May be corrosive to metals70.6% of notifiers
- H302 Harmful if swallowed64.1% of notifiers
- H314 Causes severe skin burns and eye damage99.4% of notifiers
- H317 May cause an allergic skin reaction61.2% of notifiers
- H318 Causes serious eye damage65.3% of notifiers
- H330 Fatal if inhaled61.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects61.2% of notifiers
Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
112-13-0SMILES
CCCCCCCCCC(=O)ClInChIKey
IPIVAXLHTVNRBS-UHFFFAOYSA-NInChI
InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Caprinoyl chloride
- n-Decanoyl chloride
- Decanoic acid chloride
- Capric acid chloride
- Capric chloride
Work with Decanoyl chloride
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
Octanoyl chloride111-64-8100 % similar
Lauroyl chloride112-16-3100 % similar
Tetradecanoyl chloride112-64-1100 % similar
Palmitoyl chloride112-67-4100 % similar
Stearoyl chloride112-76-5100 % similar
Undecanoyl chloride17746-05-3100 % similar
Heptanoyl chloride2528-61-2100 % similar
Nonanoyl chloride764-85-2100 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.