nonadec-1-ene

• ChemBase ID: 131036
• Molecular Formular: C19H38
• Molecular Mass: 266.50502
• Monoisotopic Mass: 266.29735122
• SMILES: CCCCCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
• InChIKey: NHLUYCJZUXOUBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadec-1-ene
• IUPAC Traditional name: 1-nonadecene
• Synonyms: 1-Nonadecene; 1-十九烯

Database IDs

• CAS Number: 18435-45-5
• EC Number: 242-313-7
• MDL Number: MFCD00009010
• Beilstein Number: 1705613
• PubChem SID: 24886661; 24897543; 162225314
• PubChem CID: 29075

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.606543
• LogD (pH = 7.4): 8.606543
• Log P: 8.606543
• Molar Refractivity: 89.2653 cm^3
• Polarizability: 35.610783 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 23 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.79 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)
• Transition Temperature: solidification point 21-24 °C

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: ≥99.0% (GC); 97%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)16CH=CH2