Chemical Properties of 3-SO2F-C6H4-COOCH3 (CAS 124397-36-0)

3-SO2F-C6H4-COOCH3

InChI
InChI=1S/C8H7FO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3
InChI Key
JEGFLTZACMZIDD-UHFFFAOYSA-N
Formula
C8H7FO4S
SMILES
COC(=O)c1cccc(S(=O)(=O)F)c1
Molecular Weight1
218.20
CAS
124397-36-0
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Physical Properties

Property Value Unit Source
ω 0.5857 Relay (1.0) Calculated Property
PAff 806.10 kJ/mol NIST
BasG 775.10 kJ/mol NIST
ΔfH°gas -790.62 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.96 kJ/mol Joback Calculated Property
ΔvapH° 84.87 kJ/mol Relay (1.0) Calculated Property
IE 10.28 eV Relay (1.0) Calculated Property
log10WS -2.94 Relay (1.0) Calculated Property
logPoct/wat 1.131 Crippen Calculated Property
McVol 137.120 ml/mol McGowan Calculated Property
Pc 4135.61 kPa Joback Calculated Property
Tboil 548.36 K Relay (1.0) Calculated Property
Tc 779.95 K Relay (1.0) Calculated Property
Tfus 376.44 K Relay (1.0) Calculated Property
Vc 0.487 m3/kmol Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [294.02; 352.72] J/mol×K [519.57; 719.25] Show Hide
Cp,gas 294.02 J/mol×K 519.57 Joback Calculated Property
Cp,gas 305.39 J/mol×K 552.85 Joback Calculated Property
Cp,gas 316.13 J/mol×K 586.13 Joback Calculated Property
Cp,gas 326.24 J/mol×K 619.41 Joback Calculated Property
Cp,gas 335.71 J/mol×K 652.69 Joback Calculated Property
Cp,gas 344.54 J/mol×K 685.97 Joback Calculated Property
Cp,gas 352.72 J/mol×K 719.25 Joback Calculated Property

Similar Compounds

M-(FLUOROSULFONYL)BENZOIC ACID. 3-CH3SO2-C6H4-COOCH3. 4-SO2F-C6H4-COOCH3. m-(Chlorosulfonyl)benzoic acid. Isophthalic acid, 5-potassium sulfo, dimethyl ester. 3-Sulfamylbenzoic acid. 3-CH3S-C6H4-COOCH3. 3-[(Dichloroamino)sulfonyl]benzoic acid. Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester. Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester. Sulfonyl-o,p'-diphenacyldibenzoate. M,m'-sulfonyl dibenzoic acid. Sulfonyl-o,o'-diphenacyldibenzoate. M,p'-sulfonyl dibenzoic acid. Benzoic acid, 3-(methylthio)-, ethyl ester.

Find more compounds similar to 3-SO2F-C6H4-COOCH3.

Sources

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