ChemSpider 2D Image | 3-Penten-1-yne | C5H6

3-Penten-1-yne

  • Molecular FormulaC5H6
  • Average mass66.101 Da
  • Monoisotopic mass66.046951 Da
  • ChemSpider ID23255876

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Penten-1-in [German] [ACD/IUPAC Name]
3-Penten-1-yne [ACD/Index Name] [ACD/IUPAC Name]
3-Pentén-1-yne [French] [ACD/IUPAC Name]
Pent-3-en-1-yne
1574-40-9 [RN]
1-pentyn-3-ene
2004-69-5 [RN]
2206-23-7 [RN]
2-Penten-4-yne
MFCD00060935

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      An enyne that is pentane which carries a triple bond at position 1 and a double bond at position 3. ChEBI CHEBI:167062
  • Gas Chromatography

    • Retention Index (Normal Alkane):

      527.2 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.1 mm; Column length: 20 m; Column type: Capillary; Description: 40C(0.4min) =>10C/min=> 110C=>20C/min =>260C (1min); CAS no: 2206237; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: LECO Corporation, Rapid qualitative GC/TOFMS analysis of unleaded gasoline, 2003.) NIST Spectra nist ri
      525 (Program type: Complex; Column... (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 50 m; Column type: Capillary; Description: 0C (3min) =>3C/min => 50C =>5C/min =>220C (30min); CAS no: 2206237; Active phase: CP-Sil5 CB MS; Phase thickness: 0.4 um; Data type: Normal alkane RI; Authors: Tirillini, B.; Verdelli, G.; Paolocci, F.; Ciccioli, P.; Frattoni, M., The volatile organic compounds from the mycelium of Tuber borchii Vitt., Phytochemistry, 55, 2000, 983-985.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.7±0.1 g/cm3
Boiling Point: 36.1±9.0 °C at 760 mmHg
Vapour Pressure: 509.6±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.9±0.8 kJ/mol
Flash Point: -41.0±12.9 °C
Index of Refraction: 1.435
Molar Refractivity: 23.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.19
ACD/KOC (pH 5.5): 232.42
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.19
ACD/KOC (pH 7.4): 232.42
Polar Surface Area: 0 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 24.8±3.0 dyne/cm
Molar Volume: 88.4±3.0 cm3

Click to predict properties on the Chemicalize site


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