Chemical Properties of 3-(Fluorosulfonyl)benzoic acid (CAS 454-95-5)

3-(Fluorosulfonyl)benzoic acid

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InChI
InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChI Key
VWYMBWGOJRULOV-UHFFFAOYSA-N
Formula
C7H5FO4S
SMILES
O=C(O)c1cccc(S(=O)(=O)F)c1
Molecular Weight1
204.18
CAS
454-95-5
Other Names
  • Benzoic acid, 3-(fluorosulfonyl)-
  • m-(Fluorosulfonyl)benzoic acid
  • 3-(fluorosulphonyl)benzoic acid
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Physical Properties

Property Value Unit Source
Δf -818.25 kJ/mol Joback Calculated Property
Δfgas -877.02 kJ/mol Joback Calculated Property
Δfus 27.68 kJ/mol Joback Calculated Property
Δvap 75.36 kJ/mol Joback Calculated Property
log10WS -1.65 Crippen Calculated Property
logPoct/wat 1.043 Crippen Calculated Property
McVol 123.030 ml/mol McGowan Calculated Property
Pc 5836.07 kPa Joback Calculated Property
Tboil 584.32 K Joback Calculated Property
Tc 778.52 K Joback Calculated Property
Tfus 357.49 K Joback Calculated Property
Vc 0.488 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [275.17; 317.39] J/mol×K [584.32; 778.52] Show Hide
Cp,gas 275.17 J/mol×K 584.32 Joback Calculated Property
Cp,gas 283.53 J/mol×K 616.69 Joback Calculated Property
Cp,gas 291.35 J/mol×K 649.05 Joback Calculated Property
Cp,gas 298.65 J/mol×K 681.42 Joback Calculated Property
Cp,gas 305.42 J/mol×K 713.79 Joback Calculated Property
Cp,gas 311.67 J/mol×K 746.15 Joback Calculated Property
Cp,gas 317.39 J/mol×K 778.52 Joback Calculated Property

Similar Compounds

3-SO2F-C6H4-COOCH3. m-(Chlorosulfonyl)benzoic acid. M,m'-sulfonyl dibenzoic acid. 3-Sulfamylbenzoic acid. M,p'-sulfonyl dibenzoic acid. 3-[(Dichloroamino)sulfonyl]benzoic acid. O,m'-sulfonyl dibenzoic acid. 3-CH3SO2-C6H4-COOCH3. Benzoic acid, 2-hydroxy-5-sulfo-. Benzoic acid, 3-mercapto-. Benzoic acid, 3-(methylthio)-. O,p'-sulfonyl dibenzoic acid. 4-SO2F-C6H4-COOCH3. O,o'-sulfonyl dibenzoic acid. O,o'-sulfinyl dibenzoic acid.

Find more compounds similar to 3-(Fluorosulfonyl)benzoic acid.

Sources

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