Tridecylbenzene

C₁₉H₃₂CAS 123-02-4260.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₃₂
Molar mass: 260.46 g/mol
Exact mass: 260.2504 Da
Density: 0.855 g/mL (at 25 °C)
Melting point: 10 °C
Boiling point: 346 °C
Flash point: 110 °C
logP: 6.54Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

123-02-4

SMILES

CCCCCCCCCCCCCc1ccccc1

InChIKey

MCVUKOYZUCWLQQ-UHFFFAOYSA-N

InChI

InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names

Benzene, tridecyl-
Tridecane, 1-phenyl-
Detergent alkylate no. 5
1-Phenyltridecane
1-Phenyl-n-tridecane
n-Tridecylbenzene
Tridecylbenzol

Work with Tridecylbenzene

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

Decylbenzene104-72-3100 % similar Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Dodecylbenzene123-01-3100 % similar Hexadecylbenzene1459-09-2100 % similar Tetradecylbenzene1459-10-5100 % similar Heptadecylbenzene14752-75-1100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5Alpha-Androstane438-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook