n-Propylbenzene
Properties
- Molecular formula
- C9H12
- Molar mass
- 120.19 g/mol
- Exact mass
- 120.0939 Da
- Density
- 0.862 g/mL (at 20 °C)
- Melting point
- −99.5 °C
- Boiling point
- 159.2 °C
- Flash point
- 30 °C (closed cup)
- logP
- 2.64Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vaporFlammable liquids
- H304 May be fatal if swallowed and enters airwaysAspiration hazard
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
103-65-1SMILES
CCCc1ccccc1InChIKey
ODLMAHJVESYWTB-UHFFFAOYSA-NInChI
InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, propyl-
- Propylbenzene
- Isocumene
- 1-Phenylpropane
- 1-Propylbenzene
- NSC 16941
Reactions
Work with n-Propylbenzene
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
n-Butylbenzene104-51-874 % similar
4-Propylbiphenyl10289-45-971 % similar
Pentylbenzene538-68-170 % similar
Decylbenzene104-72-367 % similar
Hexylbenzene1077-16-367 % similar
Heptylbenzene1078-71-367 % similar
n-Nonylbenzene1081-77-267 % similar
Dodecylbenzene123-01-367 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds