(2H32)pentadecane

• ChemBase ID: 139965
• Molecular Formular: C15H32
• Molecular Mass: 212.41458
• Monoisotopic Mass: 212.25040102
• SMILES: CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCC
• InChI: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
• InChIKey: YCOZIPAWZNQLMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃₂)pentadecane
• IUPAC Traditional name: (^2H₃₂)pentadecane
• Synonyms: Pentadecane-d32; 正十五烷-d32

Database IDs

• CAS Number: 36340-20-2
• MDL Number: MFCD01076582
• PubChem SID: 162234211; 24872810
• PubChem CID: 16213601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.132256
• LogD (pH = 7.4): 7.132256
• Log P: 7.132256
• Molar Refractivity: 70.8172 cm^3
• Polarizability: 28.4516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 8-10 °C(lit.)
• Boiling Point: 270 °C(lit.)
• Flash Point: 132 °C; 269.6 °F
• Density: 0.883 g/mL at 25 °C
• Refractive Index: n20/D 1.432(lit.)
• Mass Shift: M+32

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 243.97 by atom % calculation
• Linear Formula: CD3(CD2)13CD3

DETAILS

Sigma Aldrich - 493198

Packaging
1 g in glass bottle
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.