ChemSpider 2D Image | 3-Isopropenylpentanedioic acid | C8H12O4

3-Isopropenylpentanedioic acid

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID21105929

More details:






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

3-(1-Methylethenyl)pentanedioic acid
3-(1-Methylvinyl)pentanedioic acid
3-(Prop-1-en-2-yl)pentanedioic acid [ACD/IUPAC Name]
3-Isopropenylglutaric acid
3-Isopropenylpentandisäure [German] [ACD/IUPAC Name]
3-Isopropenylpentanedioic acid [ACD/IUPAC Name]
6839-75-4 [RN]
Acide 3-isopropénylpentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-(1-methylethenyl)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AX5QW8656N [DBID]
UNII:AX5QW8656N [DBID]
UNII-AX5QW8656N [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 325.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.4±6.0 kJ/mol
Flash Point: 165.0±18.8 °C
Index of Refraction: 1.487
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 145.1±3.0 cm3

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