ChemSpider 2D Image | 2-[(3,4-Dichlorobenzyl)sulfanyl]-4-(4-hydroxy-1-butyn-1-yl)benzoic acid | C18H14Cl2O3S

2-[(3,4-Dichlorobenzyl)sulfanyl]-4-(4-hydroxy-1-butyn-1-yl)benzoic acid

  • Molecular FormulaC18H14Cl2O3S
  • Average mass381.273 Da
  • Monoisotopic mass380.004059 Da
  • ChemSpider ID26328320

More details:

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

2-[(3,4-Dichlorbenzyl)sulfanyl]-4-(4-hydroxy-1-butin-1-yl)benzoesäure [German] [ACD/IUPAC Name]
2-[(3,4-Dichlorobenzyl)sulfanyl]-4-(4-hydroxy-1-butyn-1-yl)benzoic acid [ACD/IUPAC Name]
2-[(3,4-Dichlorobenzyl)sulfanyl]-4-(4-Hydroxybut-1-Yn-1-Yl)benzoic Acid
Acide 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxy-1-butyn-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(3,4-dichlorophenyl)methyl]thio]-4-(4-hydroxy-1-butyn-1-yl)- [ACD/Index Name]
NXV

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

Density: 1.5±0.1 g/cm3
Boiling Point: 560.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 293.0±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 98.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 65.87
ACD/KOC (pH 5.5): 182.03
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 16.66
Polar Surface Area: 83 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 258.5±5.0 cm3

Click to predict properties on the Chemicalize site


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