Chemical Properties of 2-Fluorophenoxathiin (CAS 1800-40-4)

2-Fluorophenoxathiin

InChI
InChI=1S/C12H7FOS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7H
InChI Key
UKZYOLQBLTVVRO-UHFFFAOYSA-N
Formula
C12H7FOS
SMILES
Fc1ccc2c(c1)Sc1ccccc1O2
Molecular Weight1
218.25
CAS
1800-40-4
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Physical Properties

Property Value Unit Source
ΔfH°gas -91.52 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.63 kJ/mol Joback Calculated Property
ΔvapH° 77.22 kJ/mol Relay (1.0) Calculated Property
IE 8.00 eV NIST
logPoct/wat 4.083 Crippen Calculated Property
McVol 145.550 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [337.50; 396.35] J/mol×K [623.65; 881.64] Show Hide
Cp,gas 337.50 J/mol×K 623.65 Joback Calculated Property
Cp,gas 349.57 J/mol×K 666.65 Joback Calculated Property
Cp,gas 360.56 J/mol×K 709.65 Joback Calculated Property
Cp,gas 370.61 J/mol×K 752.64 Joback Calculated Property
Cp,gas 379.84 J/mol×K 795.64 Joback Calculated Property
Cp,gas 388.38 J/mol×K 838.64 Joback Calculated Property
Cp,gas 396.35 J/mol×K 881.64 Joback Calculated Property

Similar Compounds

Phenoxathiin. Phenoxathiin, 2-chloro-. 2,2'-Thiobis[4-fluorophenol]. 2-Methylphenoxathiin. Bis(2-hydroxyphenyl)sulfide. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]. 3,4-Dihydro-3,3-dimethyl-2-p-tolyl-2H-1,4,2-benzoxazaphosphorine-2-oxide. Avenaciolide, 6-(2-phenylethyl). Avenaciolide, 6-[2-(4-fluorophenyl)ethyl]. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. Piretanide + TMAH. 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-. Avenaciolide, 6-[2-(4-chlorophenyl)ethyl]. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]. Trimethylsilyl 3-(aminosulfonyl)-5-[butyl(trimethylsilyl)amino]-4-phenoxybenzoate.

Find more compounds similar to 2-Fluorophenoxathiin.

Sources

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