ChemSpider 2D Image | (1R,4S)-4-(Butoxycarbonyl)-2-cyclobutene-1-carboxylic acid | C10H14O4

(1R,4S)-4-(Butoxycarbonyl)-2-cyclobutene-1-carboxylic acid

  • Molecular FormulaC10H14O4
  • Average mass198.216 Da
  • Monoisotopic mass198.089203 Da
  • ChemSpider ID110557795

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-4-(Butoxycarbonyl)-2-cyclobuten-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S)-4-(Butoxycarbonyl)-2-cyclobutene-1-carboxylic acid [ACD/IUPAC Name]
3-Cyclobutene-1,2-dicarboxylic acid, monobutyl ester, (1S,2R)- [ACD/Index Name]
Acide (1R,4S)-4-(butoxycarbonyl)-2-cyclobutène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 313.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.0±6.0 kJ/mol
Flash Point: 120.4±21.4 °C
Index of Refraction: 1.511
Molar Refractivity: 49.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.50
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 163.7±3.0 cm3

Click to predict properties on the Chemicalize site


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