Chemical Properties of 2-Chloro-6-fluorobenzyl mercaptan (CAS 170924-52-4)

2-Chloro-6-fluorobenzyl mercaptan

InChI
InChI=1S/C7H6ClFS/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChI Key
TXFPTJWQPHMUEF-UHFFFAOYSA-N
Formula
C7H6ClFS
SMILES
Fc1cccc(Cl)c1CS
Molecular Weight1
176.64
CAS
170924-52-4
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Physical Properties

Property Value Unit Source
ΔfusH° 18.47 kJ/mol Joback Calculated Property
IE 8.93 eV Relay (1.0) Calculated Property
log10WS -2.61 Relay (1.0) Calculated Property
logPoct/wat 2.909 Crippen Calculated Property
McVol 116.090 ml/mol McGowan Calculated Property
Tboil 497.04 K Relay (1.0) Calculated Property
Tfus 291.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [212.58; 261.89] J/mol×K [495.76; 730.27] Show Hide
Cp,gas 212.58 J/mol×K 495.76 Joback Calculated Property
Cp,gas 222.27 J/mol×K 534.85 Joback Calculated Property
Cp,gas 231.35 J/mol×K 573.93 Joback Calculated Property
Cp,gas 239.82 J/mol×K 613.02 Joback Calculated Property
Cp,gas 247.72 J/mol×K 652.10 Joback Calculated Property
Cp,gas 255.07 J/mol×K 691.19 Joback Calculated Property
Cp,gas 261.89 J/mol×K 730.27 Joback Calculated Property

Similar Compounds

Benzene, 1-chloro-3-fluoro-2-methyl-. 2-CHLORO-6-FLUOROBENZYL CHLORIDE. 2-chloro-6-fluorobenzylic alcohol. 2-Fluorobenzyl mercaptan. 2-CHLORO-6-FLUOROPHENYLACETONITRILE. 2-Chloro-6-fluorobenzyl alcohol, chlorodifluoroacetate. 2-CHLORO-6-FLUOROPHENYLACETIC ACID. 2-Chloro-6-fluorobenzyl alcohol, bromomethyldimethylsilyl ether. 2-Chloro-6-fluorobenzyl alcohol, isopropyl ether. 2-Chloro-6-fluorobenzyl alcohol, n-propyl ether. Succinic acid, di(2-chloro-6-fluorobenzyl) ester. 2-Chloro-6-fluorobenzyl alcohol, 2-methylpropyl ether. Succinic acid, 2-chloro-6-fluorobenzyl ethyl ester. 2-Chloro-6-fluorobenzyl alcohol, 1-methylpropyl ether. 2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether.

Find more compounds similar to 2-Chloro-6-fluorobenzyl mercaptan.

Sources

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