Chemical Properties of Benfuresate (CAS 68505-69-1)

Benfuresate

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InChI
InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
InChI Key
QGQSRQPXXMTJCM-UHFFFAOYSA-N
Formula
C12H16O4S
SMILES
CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2
Molecular Weight1
256.32
CAS
68505-69-1
Other Names
  • 2,3-dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
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Physical Properties

Property Value Unit Source
Δf -461.09 kJ/mol Joback Calculated Property
Δfgas -706.95 kJ/mol Joback Calculated Property
Δfus 32.48 kJ/mol Joback Calculated Property
Δvap 70.22 kJ/mol Joback Calculated Property
log10WS -2.74 Crippen Calculated Property
logPoct/wat 2.085 Crippen Calculated Property
McVol 185.150 ml/mol McGowan Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Inp 1871.00 NIST
Tboil 614.73 K Joback Calculated Property
Tc 827.86 K Joback Calculated Property
Tfus 405.66 K Joback Calculated Property
Vc 0.720 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [472.65; 553.66] J/mol×K [614.73; 827.86] Show Hide
Cp,gas 472.65 J/mol×K 614.73 Joback Calculated Property
Cp,gas 488.03 J/mol×K 650.25 Joback Calculated Property
Cp,gas 502.52 J/mol×K 685.77 Joback Calculated Property
Cp,gas 516.23 J/mol×K 721.30 Joback Calculated Property
Cp,gas 529.26 J/mol×K 756.82 Joback Calculated Property
Cp,gas 541.70 J/mol×K 792.34 Joback Calculated Property
Cp,gas 553.66 J/mol×K 827.86 Joback Calculated Property

Similar Compounds

Ethofumesate. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. Lycoramine. Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester. Noscapine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Glyceollin V, TMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. azadirachtin. Moexipril Me. Tazettine. risperidone. Hydrastine.

Find more compounds similar to Benfuresate.

Sources

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