heptadec-1-ene

• ChemBase ID: 104821
• Molecular Formular: C17H34
• Molecular Mass: 238.45186
• Monoisotopic Mass: 238.26605109
• SMILES: CCCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
• InChIKey: ADOBXTDBFNCOBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadec-1-ene
• IUPAC Traditional name: 1-heptadecene
• Synonyms: 1-HEPTADECENE; 1-Heptadecene; 十七烯

Database IDs

• CAS Number: 6765-39-5
• EC Number: 229-825-6
• MDL Number: MFCD00009000
• Beilstein Number: 1758486
• PubChem SID: 162091732; 24895426; 24873896
• PubChem CID: 23217

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7174053
• LogD (pH = 7.4): 7.7174053
• Log P: 7.7174053
• Molar Refractivity: 80.0633 cm^3
• Polarizability: 31.916922 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 10-11 °C(lit.)
• Boiling Point: 157-159 °C/11 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.785 g/mL at 25 °C(lit.); 0.79 g/ml
• Refractive Index: n20/D 1.441; n20/D 1.441(lit.)
• Transition Temperature: solidification point 9-11 °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)

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3(CH2)14CH=CH2

DETAILS

MP Biomedicals - 02157313

1 ml = approx. 0.79 g

Sigma Aldrich - H1108

Packaging
1 g in glass bottle