Chemical Properties of N-hexasulfonyl-2-propanone (CAS 86453-14-7)

InChI

InChI=1S/C9H18O3S/c1-3-4-5-6-7-13(11,12)8-9(2)10/h3-8H2,1-2H3

InChI Key

FIMACEIKKPQUFZ-UHFFFAOYSA-N

Formula

C9H18O3S

SMILES

CCCCCCS(=O)(=O)CC(C)=O

Molecular Weight¹

206.30

CAS

86453-14-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.34; 541.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.53060e+01
Coefficient B			8.64430e-01
Coefficient C			-3.81500e-04
Coefficient D			2.36600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	243.34	J/mol×K	273.00	Calculated Property
Cp,gas	294.42	J/mol×K	353.78	Calculated Property
Cp,gas	340.85	J/mol×K	434.56	Calculated Property
Cp,gas	382.70	J/mol×K	515.33	Calculated Property
Cp,gas	420.05	J/mol×K	596.11	Calculated Property
Cp,gas	452.97	J/mol×K	676.89	Calculated Property
Cp,gas	481.54	J/mol×K	757.67	Calculated Property
Cp,gas	505.84	J/mol×K	838.44	Calculated Property
Cp,gas	525.93	J/mol×K	919.22	Calculated Property
Cp,gas	541.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-hexasulfonyl-2-propanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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