Chemical Properties of N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, N,O-dimethyl-

InChI

InChI=1S/C14H13BrN2O5S/c1-16(11-5-8-14(22-2)13(15)9-11)23(20,21)12-6-3-10(4-7-12)17(18)19/h3-9H,1-2H3

InChI Key

IMQVVLNPUMHDNI-UHFFFAOYSA-N

Formula

C14H13BrN2O5S

SMILES

COc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br

Molecular Weight¹

401.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfG°	-149.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.11	kJ/mol	Joback Calculated Property
ΔfusH°	51.16	kJ/mol	Joback Calculated Property
ΔvapH°	99.41	kJ/mol	Joback Calculated Property
log10WS	-4.81		Crippen Calculated Property
logPoct/wat	3.191		Crippen Calculated Property
McVol	239.460	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	[2891.00; 2891.00]
Inp	2891.00		NIST
Inp	2891.00		NIST
Tboil	888.66	K	Joback Calculated Property
Tc	1140.63	K	Joback Calculated Property
Tfus	634.61	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[652.32; 694.03]	J/mol×K	[888.66; 1140.63]
Cp,gas	652.32	J/mol×K	888.66	Joback Calculated Property
Cp,gas	662.57	J/mol×K	930.66	Joback Calculated Property
Cp,gas	671.44	J/mol×K	972.65	Joback Calculated Property
Cp,gas	678.97	J/mol×K	1014.65	Joback Calculated Property
Cp,gas	685.21	J/mol×K	1056.64	Joback Calculated Property
Cp,gas	690.22	J/mol×K	1098.64	Joback Calculated Property
Cp,gas	694.03	J/mol×K	1140.63	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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