Chemical Properties of 4-Iodothioanisole

4-Iodothioanisole

InChI
InChI=1S/C7H7IS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key
VGQFOKHFPSTYJY-UHFFFAOYSA-N
Formula
C7H7IS
SMILES
CSc1ccc(I)cc1
Molecular Weight1
250.10
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Physical Properties

Property Value Unit Source
ΔfH°gas 150.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.07 kJ/mol Joback Calculated Property
ΔvapH° 65.31 kJ/mol Relay (1.0) Calculated Property
IE 7.87 eV Relay (1.0) Calculated Property
log10WS -4.38 Relay (1.0) Calculated Property
logPoct/wat 3.013 Crippen Calculated Property
McVol 127.900 ml/mol McGowan Calculated Property
Pc 4010.84 kPa Joback Calculated Property
Tboil 552.70 K Relay (1.0) Calculated Property
Tfus 307.29 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 [223.64; 275.26] J/mol×K [553.34; 830.80] Show Hide
Cp,gas 223.64 J/mol×K 553.34 Joback Calculated Property
Cp,gas 234.31 J/mol×K 599.58 Joback Calculated Property
Cp,gas 244.09 J/mol×K 645.83 Joback Calculated Property
Cp,gas 253.03 J/mol×K 692.07 Joback Calculated Property
Cp,gas 261.16 J/mol×K 738.32 Joback Calculated Property
Cp,gas 268.56 J/mol×K 784.56 Joback Calculated Property
Cp,gas 275.26 J/mol×K 830.80 Joback Calculated Property

Similar Compounds

1,4-Benzenedithiol, S,S'-dimethyl-. Benzene, (methylthio)-. 4-(Methylthio)thiophenol. 1,3-Benzenedithiol, S,S'-dimethyl-. Benzene, 1-bromo-4-(methylthio)-. Benzene, (methylsulfinyl)-. Bis(phenylthio)methane. Phenol, 4-(methylthio)-. Benzene, (ethylthio)-. BENZENE, (METHYLSULFONYL)-. Phenyl propargyl sulfide. 4-(METHYLMERCAPTO)ANILINE. 4-(Methylthio)phenyl isothiocyanate. Benzene, 1-chloro-4-[(chloromethyl)thio]-. (Phenylthio)acetyl chloride.

Find more compounds similar to 4-Iodothioanisole.

Sources

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