Chemical Properties of 4-Methoxycarbonylphenyl isothiocyanate

4-Methoxycarbonylphenyl isothiocyanate

InChI
InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3
InChI Key
WIZODHILGBTPPA-UHFFFAOYSA-N
Formula
C9H7NO2S
SMILES
COC(=O)c1ccc(N=C=S)cc1
Molecular Weight1
193.23
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Physical Properties

Property Value Unit Source
ω 0.5179 Relay (1.0) Calculated Property
ΔfH°gas -59.50 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 77.42 kJ/mol Relay (1.0) Calculated Property
IE 8.76 eV Relay (1.0) Calculated Property
log10WS -3.79 Relay (1.0) Calculated Property
logPoct/wat 2.208 Crippen Calculated Property
McVol 139.080 ml/mol McGowan Calculated Property
Pc 3468.36 kPa Joback Calculated Property
Tboil 537.39 K Relay (1.0) Calculated Property
Tc 789.14 K Relay (1.0) Calculated Property
Tfus 376.97 K Relay (1.0) Calculated Property
Vc 0.482 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Benzoic acid, 4-isothiocyanato-, ethyl ester. Benzoic acid, 4-nitroso-, methyl ester. Benzoic acid, 4-amino-, methyl ester. 4-Carboxyphenyl isothiocyanate. 3-Methoxycarbonylphenyl isothiocyanate. Benzoic acid, p-[[(dimethylamino)methylene]amino]-, methyl ester. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. Methyl 4(methylamino)benzoate. Benzoic acid, 4-(dimethylamino)-, methyl ester. benzocaine. Benzoic acid, 4-nitro, 2-propynyl ester. 3-Ethoxycarbonylphenyl isothiocyanate. 4-Aminobenzoic acid, N-dimethylaminomethylene-, ethyl ester. Benzoic acid, 3-amino-, methyl ester.

Find more compounds similar to 4-Methoxycarbonylphenyl isothiocyanate.

Sources

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