(13C)ethene

• ChemBase ID: 138269
• Molecular Formular: C2H4
• Molecular Mass: 29.04581484
• Monoisotopic Mass: 29.03465497
• SMILES: C=[13CH2]
• Canonical SMILES: [13CH2]=C
• InChI: InChI=1S/C2H4/c1-2/h1-2H2/i1+1
• InChIKey: VGGSQFUCUMXWEO-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)ethene
• IUPAC Traditional name: (^1^3C)ethene
• Synonyms: Ethene-13C1; Ethylene-13C1; 乙撑-13C1; 乙烯-13C1

Database IDs

• CAS Number: 6145-18-2
• MDL Number: MFCD00083965
• PubChem SID: 162232526
• PubChem CID: 12242923

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1068089
• LogD (pH = 7.4): 1.1068089
• Log P: 1.1068089
• Molar Refractivity: 9.9758 cm^3
• Polarizability: 4.227136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -169 °C(lit.)
• Boiling Point: -104 °C(lit.)
• Flash Point: -20 °C; -4 °F
• Auto Ignition Point: 842 °F
• Vapor Pressure: 35.04 atm ( 20 °C)
• Vapor Density: 0.97 (vs air)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1962
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12-67
• Safety Statements: 9-16-33-45
• GHS Pictograms: GHS02; GHS04; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H220-H280-H336
• GHS Precautionary statements: P210-P261-P410 + P403
• RID/ADR: UN 1962 2.1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 29.04 by atom % calculation
• Linear Formula: H2C=13CH2

DETAILS

Sigma Aldrich - 489344

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.
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