ChemSpider 2D Image | 1,4-Dithian-2-ylacetic acid | C6H10O2S2

1,4-Dithian-2-ylacetic acid

  • Molecular FormulaC6H10O2S2
  • Average mass178.272 Da
  • Monoisotopic mass178.012222 Da
  • ChemSpider ID30529820

More details:

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

1,4-Dithian-2-ylacetic acid [ACD/IUPAC Name]
1,4-Dithian-2-ylessigsäure [German] [ACD/IUPAC Name]
1,4-Dithiane-2-acetic acid [ACD/Index Name]
Acide 1,4-dithian-2-ylacétique [French] [ACD/IUPAC Name]
"1,4-DITHIAN-2-YLACETIC ACID"
2-(1,4-dithian-2-yl)acetic acid
933690-72-3 [RN]
MFCD22566003

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

Density: 1.3±0.1 g/cm3
Boiling Point: 374.2±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 180.1±20.9 °C
Index of Refraction: 1.578
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.89
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 137.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement