(2H28)tridecane

• ChemBase ID: 135049
• Molecular Formular: C13H28
• Molecular Mass: 184.36142
• Monoisotopic Mass: 184.2191009
• SMILES: CCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCC
• InChI: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
• InChIKey: IIYFAKIEWZDVMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₂₈)tridecane
• IUPAC Traditional name: (^2H₂₈)tridecane
• Synonyms: Tridecane-d28; 正十三烷-d28

Database IDs

• MDL Number: MFCD00145015
• PubChem SID: 162229324
• PubChem CID: 56846000

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.243119
• LogD (pH = 7.4): 6.243119
• Log P: 6.243119
• Molar Refractivity: 61.6152 cm^3
• Polarizability: 24.757622 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -4--6 °C
• Boiling Point: 234 °C
• Density: 0.869 g/mL at 25 °C
• Mass Shift: M+28

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 211.97 by atom % calculation
• Linear Formula: CD3(CD2)11CD3

DETAILS

Sigma Aldrich - 616745

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.