ChemSpider 2D Image | 2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid | C13H18O3

2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID21373670

More details:






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

2-Ethoxy-4-(2-methyl-2-propanyl)benzoesäure [German] [ACD/IUPAC Name]
2-Ethoxy-4-(2-methyl-2-propanyl)benzoic acid [ACD/IUPAC Name]
4-(1,1-Dimethylethyl)-2-ethoxybenzoic acid
796875-53-1 [RN]
Acide 2-éthoxy-4-(2-méthyl-2-propanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1,1-dimethylethyl)-2-ethoxy- [ACD/Index Name]
MFCD07366640 [MDL number]
QVR BO2 DX1&1&1 [WLN]
[796875-53-1]
2-(2-methyl-4-thiazolyl)acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 118.9±19.4 °C
Index of Refraction: 1.513
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 30.63
ACD/KOC (pH 5.5): 193.90
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.42
Polar Surface Area: 47 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 209.2±3.0 cm3

Click to predict properties on the Chemicalize site






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