ChemSpider 2D Image | 1-Penten-3-yl isobutyrate | C9H16O2

1-Penten-3-yl isobutyrate

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID24541607

More details:

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

1-Penten-3-yl 2-methylpropanoate [ACD/IUPAC Name]
1-Penten-3-yl isobutyrate
1-Penten-3-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de 1-pentén-3-yle [French] [ACD/IUPAC Name]
945529-33-9 [RN]
Propanoic acid, 2-methyl-, 1-ethyl-2-propen-1-yl ester [ACD/Index Name]
[945529-33-9] [RN]
1-ethylprop-2-enyl 2-methylpropanoate
1-Penten-3-ylisobutyrate
2-methylpropanoic acid pent-1-en-3-yl ester
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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, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 181.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 64.3±12.3 °C
Index of Refraction: 1.426
Molar Refractivity: 45.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.63
ACD/KOC (pH 5.5): 862.33
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.63
ACD/KOC (pH 7.4): 862.33
Polar Surface Area: 26 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 26.1±3.0 dyne/cm
Molar Volume: 176.4±3.0 cm3

Click to predict properties on the Chemicalize site


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