ChemSpider 2D Image | cis-3-Methylcyclobutanecarboxylic acid | C6H10O2

cis-3-Methylcyclobutanecarboxylic acid

  • Molecular FormulaC6H10O2
  • Average mass114.142 Da
  • Monoisotopic mass114.068077 Da
  • ChemSpider ID24593847
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

87863-08-9 [RN]
Acide cis-3-méthylcyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-Methylcyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-Methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-methyl-, cis- [ACD/Index Name]
(1r,3s)-3-methylcyclobutane-1-carboxylic acid
[87863-08-9]
3-Methylcyclobutanecarboxylic acid [ACD/IUPAC Name]
'87863-08-9
87863-09-0 [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39879]
    • Safety:

      20/21/22 Novochemy [NC-39879]
      20/21/36/37/39 Novochemy [NC-39879]
      GHS07; GHS09 Novochemy [NC-39879]
      H332; H403 Novochemy [NC-39879]
      P309+P311; P211; P242 Novochemy [NC-39879]
      Warning Novochemy [NC-39879]
      Xn Novochemy [NC-39879]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 194.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 47.4±6.0 kJ/mol
Flash Point: 87.7±13.1 °C
Index of Refraction: 1.479
Molar Refractivity: 29.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 24.69
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 11.6±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 103.2±3.0 cm3

Click to predict properties on the Chemicalize site






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