ChemSpider 2D Image | (2R,3E)-2-Methyl-3-pentenoic acid | C6H10O2

(2R,3E)-2-Methyl-3-pentenoic acid

  • Molecular FormulaC6H10O2
  • Average mass114.142 Da
  • Monoisotopic mass114.068077 Da
  • ChemSpider ID32990694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R,3E)-2-Methyl-3-pentenoic acid [ACD/IUPAC Name]
(2R,3E)-2-Methyl-3-pentensäure [German] [ACD/IUPAC Name]
3-Pentenoic acid, 2-methyl-, (2R,3E)- [ACD/Index Name]
Acide (2R,3E)-2-méthyl-3-penténoïque [French] [ACD/IUPAC Name]
2089555-49-5 [RN]
253-610-6 [EINECS]
2-Methyl-3-pentenoic acid [ACD/IUPAC Name]
2-METHYL-3-PENTENOIC ACID, (3E)-
37674-63-8 [RN]
55894-37-6 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 200.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.1±6.0 kJ/mol
Flash Point: 97.4±13.9 °C
Index of Refraction: 1.453
Molar Refractivity: 31.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.34
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 116.2±3.0 cm3

Click to predict properties on the Chemicalize site


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