ChemSpider 2D Image | Ethyl (3S)-3-hydroxy-4-iodobutanoate | C6H11IO3

Ethyl (3S)-3-hydroxy-4-iodobutanoate

  • Molecular FormulaC6H11IO3
  • Average mass258.054 Da
  • Monoisotopic mass257.975281 Da
  • ChemSpider ID29365512

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-4-iodobutanoate d'éthyle [French] [ACD/IUPAC Name]
112100-39-7 [RN]
Butanoic acid, 3-hydroxy-4-iodo-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-3-hydroxy-4-iodobutanoate [ACD/IUPAC Name]
Ethyl-(3S)-3-hydroxy-4-iodbutanoat [German] [ACD/IUPAC Name]
(S)-Ethyl 3-hydroxy-4-iodobutanoate
(S)-Ethyl 3-Hydroxy-4-Iodobutanoate (en)
[112100-39-7] [RN]
BUTANOIC ACID, 3-HYDROXY-4-IODO-, ETHYL ESTER, (S)
Butanoic acid,3-hydroxy-4-iodo-, ethyl ester, (3S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 294.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 132.0±23.2 °C
Index of Refraction: 1.536
Molar Refractivity: 46.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.15
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.15
Polar Surface Area: 47 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 147.8±3.0 cm3

Click to predict properties on the Chemicalize site


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