Chemical Properties of 1-N-hexasulfonyl-3-bromo-2-propanone (CAS 90676-00-9)

InChI

InChI=1S/C9H17BrO3S/c1-2-3-4-5-6-14(12,13)8-9(11)7-10/h2-8H2,1H3

InChI Key

AVBZQDBKXORQFM-UHFFFAOYSA-N

Formula

C9H17BrO3S

SMILES

CCCCCCS(=O)(=O)CC(=O)CBr

Molecular Weight¹

285.20

CAS

90676-00-9

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.92; 492.29]	J/mol×K	[573.13; 756.98]
Cp,gas	422.92	J/mol×K	573.13	Joback Calculated Property
Cp,gas	436.08	J/mol×K	603.77	Joback Calculated Property
Cp,gas	448.59	J/mol×K	634.41	Joback Calculated Property
Cp,gas	460.46	J/mol×K	665.06	Joback Calculated Property
Cp,gas	471.69	J/mol×K	695.70	Joback Calculated Property
Cp,gas	482.30	J/mol×K	726.34	Joback Calculated Property
Cp,gas	492.29	J/mol×K	756.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-N-hexasulfonyl-3-bromo-2-propanone.

Sources

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

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