pentadec-1-ene

• ChemBase ID: 131304
• Molecular Formular: C15H30
• Molecular Mass: 210.3987
• Monoisotopic Mass: 210.23475096
• SMILES: CCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCC=C
• InChI: InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
• InChIKey: PJLHTVIBELQURV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadec-1-ene
• IUPAC Traditional name: 1-pentadecene
• Synonyms: 1-Pentadecene; 1-十五烯

Database IDs

• CAS Number: 13360-61-7
• EC Number: 236-414-5
• MDL Number: MFCD00008987
• Beilstein Number: 1751011
• PubChem SID: 24887017; 162225582; 24853358
• PubChem CID: 25913

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.828268
• LogD (pH = 7.4): 6.828268
• Log P: 6.828268
• Molar Refractivity: 70.8613 cm^3
• Polarizability: 28.22312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -4 °C(lit.)
• Boiling Point: 268-269 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.775 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.439; n20/D 1.439(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5% (GC); 98%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)12CH=CH2

DETAILS

Sigma Aldrich - 222887

Packaging
5 mL in glass bottle