ChemSpider 2D Image | Bis(trimethylsilyl) 2,2,13,13-tetramethyl-7,8-dithia-3,12-diaza-2,13-disilatetradecane-4,11-dicarboxylate | C20H48N2O4S2Si4

Bis(trimethylsilyl) 2,2,13,13-tetramethyl-7,8-dithia-3,12-diaza-2,13-disilatetradecane-4,11-dicarboxylate

  • Molecular FormulaC20H48N2O4S2Si4
  • Average mass557.078 Da
  • Monoisotopic mass556.213257 Da
  • ChemSpider ID480900

More details:

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

2,2,13,13-Tétraméthyl-7,8-dithia-3,12-diaza-2,13-disilatétradécane-4,11-dicarboxylate de bis(triméthylsilyle) [French] [ACD/IUPAC Name]
7,8-Dithia-3,12-diaza-2,13-disilatetradecane-4,11-dicarboxylic acid, 2,2,13,13-tetramethyl-, bis(trimethylsilyl) ester [ACD/Index Name]
Bis(trimethylsilyl) 2,2,13,13-tetramethyl-7,8-dithia-3,12-diaza-2,13-disilatetradecane-4,11-dicarboxylate [ACD/IUPAC Name]
Bis(trimethylsilyl)-2,2,13,13-tetramethyl-7,8-dithia-3,12-diaza-2,13-disilatetradecan-4,11-dicarboxylat [German] [ACD/IUPAC Name]
Butanoic acid, 4,4'-dithiobis[2-[(trimethylsilyl)amino]-, bis(trimethylsilyl) ester, [S-(R*,R*)]-
L-Homocystine, N,N'-bis(trimethylsilyl)-, bis(trimethylsilyl) ester

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

  • Gas Chromatography

    • Retention Index (Kovats):

      2754 (estimated with error: 89) NIST Spectra mainlib_332738, replib_18384

    • Retention Index (Linear):

      2512.4 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 69688455; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2007.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 481.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.3±28.7 °C
Index of Refraction: 1.475
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 16.27
ACD/KOC (pH 5.5): 17.54
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 51.47
ACD/KOC (pH 7.4): 55.46
Polar Surface Area: 127 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 554.9±3.0 cm3

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