ChemSpider 2D Image | 5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid | C19H24O2S2

5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID23178799

More details:






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

4-Pentynoic acid, 5-[4-[5-(1,1-dimethylethyl)-1,3-dithian-2-yl]phenyl]- [ACD/Index Name]
5-[4-(5-tert-butyl-1,3-dithian-2-yl)phenyl]pent-4-ynoic acid
5-{4-[5-(2-Methyl-2-propanyl)-1,3-dithian-2-yl]phenyl}-4-pentinsäure [German] [ACD/IUPAC Name]
5-{4-[5-(2-Methyl-2-propanyl)-1,3-dithian-2-yl]phenyl}-4-pentynoic acid [ACD/IUPAC Name]
Acide 5-{4-[5-(2-méthyl-2-propanyl)-1,3-dithian-2-yl]phényl}-4-pentynoïque [French] [ACD/IUPAC Name]
5-[4-(5-tert-Butyl-[1,3]dithian-2-yl)-phenyl]-pent-4-ynoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 713.63
ACD/KOC (pH 5.5): 1670.28
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 11.82
ACD/KOC (pH 7.4): 27.67
Polar Surface Area: 88 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

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