ChemSpider 2D Image | (2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol | C8H18O4

(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol

  • Molecular FormulaC8H18O4
  • Average mass178.226 Da
  • Monoisotopic mass178.120514 Da
  • ChemSpider ID29365475
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butandiol [German] [ACD/IUPAC Name]
(2S)-2-[(2-Methoxy-2-propanyl)oxy]-1,4-butanediol [ACD/IUPAC Name]
(2S)-2-[(2-Méthoxy-2-propanyl)oxy]-1,4-butanediol [French] [ACD/IUPAC Name]
1,4-Butanediol, 2-(1-methoxy-1-methylethoxy)-, (2S)- [ACD/Index Name]
(2S)-2-(1-methoxy-1-methyl-ethoxy)butane-1,4-diol
(S)-2-(1-methoxy-1-methylethoxy)-butanediol
1,4-Butanediol,2-(1-methoxy-1-methylethoxy)-, (S)- (9CI)
1,4-Butanediol,2-(1-methoxy-1-methylethoxy)-,(S)-(9ci)
66348-33-2 [RN]
MFCD02262045

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

Density: 1.1±0.1 g/cm3
Boiling Point: 287.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.1±6.0 kJ/mol
Flash Point: 127.4±23.2 °C
Index of Refraction: 1.453
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.92
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.92
Polar Surface Area: 59 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 168.8±3.0 cm3

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