Chemical Properties of N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, N,O-di(tert.-butydiimethylsilyl)-

InChI

InChI=1S/C24H37BrN2O5SSi2/c1-23(2,3)34(7,8)27(33(30,31)20-14-11-18(12-15-20)26(28)29)19-13-16-22(21(25)17-19)32-35(9,10)24(4,5)6/h11-17H,1-10H3

InChI Key

BZEYTWSTAFSKJO-UHFFFAOYSA-N

Formula

C24H37BrN2O5SSi2

SMILES

CC(C)(C)[Si](C)(C)Oc1ccc(N([Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br

Molecular Weight¹

601.70

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9670		Relay (1.0) Calculated Property
ΔfG°	147.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-664.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	108.84	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.942		Crippen Calculated Property
Pc	894.58	kPa	Relay (1.0-beta) Calculated Property
Inp	[3336.00; 3336.00]
Inp	3336.00		NIST
Inp	3336.00		NIST
Tboil	717.81	K	Relay (1.0) Calculated Property
Tc	1081.28	K	Relay (1.0) Calculated Property
Tfus	462.94	K	Relay (1.0) Calculated Property
Vc	1.517	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, N,O-di(tert.-butydiimethylsilyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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