tetradec-1-yne

• ChemBase ID: 112749
• Molecular Formular: C14H26
• Molecular Mass: 194.35624
• Monoisotopic Mass: 194.20345083
• SMILES: CCCCCCCCCCCCC#C
• Canonical SMILES: CCCCCCCCCCCCC#C
• InChI: InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3
• InChIKey: DZEFNRWGWQDGTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradec-1-yne
• IUPAC Traditional name: tetradec-1-yne
• Synonyms: 1-TETRADECYNE; 1-Tetradecyne; 1-十四炔

Database IDs

• CAS Number: 765-10-6
• EC Number: 212-139-6
• MDL Number: MFCD00015076
• Beilstein Number: 1746546
• PubChem SID: 162097560; 24888727
• PubChem CID: 69823

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8805323
• LogD (pH = 7.4): 5.8805323
• Log P: 5.8805323
• Molar Refractivity: 64.6778 cm^3
• Polarizability: 25.49398 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 132-134°C/14mm
• Density: 0.790; 0.790 g/mL at 20 °C(lit.)
• Refractive Index: 1.4410; n20/D 1.440

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0%; tech. 90%
• Linear Formula: CH3(CH2)11C≡CH

DETAILS

MP Biomedicals - 05225634

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 87197

Packaging
10 mL in glass bottle