Chemical Properties of 3-Methoxybenzylisothiocyanate (CAS 75272-77-4)

3-Methoxybenzylisothiocyanate

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InChI
InChI=1S/C9H9NOS/c1-11-9-4-2-3-8(5-9)6-10-7-12/h2-5H,6H2,1H3
InChI Key
SSSDJJXWAVRNCM-UHFFFAOYSA-N
Formula
C9H9NOS
SMILES
COc1cccc(CN=C=S)c1
Molecular Weight1
179.24
CAS
75272-77-4
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Physical Properties

Property Value Unit Source
ΔfH°gas 147.82 kJ/mol Joback Calculated Property
ΔvapH° 51.42 kJ/mol Joback Calculated Property
log10WS -2.82 Crippen Calculated Property
logPoct/wat 2.298 Crippen Calculated Property
McVol 137.510 ml/mol McGowan Calculated Property
Pc 3224.64 kPa Joback Calculated Property
Inp 1605.00 NIST
Tboil 605.35 K Joback Calculated Property
Tc 856.17 K Joback Calculated Property

Similar Compounds

3,4-Dimethoxybenzyl isothiocyanate. N-(3-Methoxybenzyl)acetamide. 3-Methoxybenzylamine. 4-Methoxybenzyl isothiocyanate. 2-Methoxybenzyl isothiocyanate. 2,3-Dimethoxybenzyl isothiocyanate. 3,4-Methylenedioxybenzyl isothiocyanate. 1-(Isocyanatomethyl)-4-(methyloxy)benzene. 3-(Trifluoromethoxy)benzylamine. Benzene, 1-methoxy-3-methyl-. 3,4-Dimethoxybenzylamine. N-(4-methoxybenzyl)formamide. 1-Benzyl-3-(3-methoxybenzyl)urea. p-methoxybenzylidene-benzyl-amine. Acetamide, N-[(4-methoxyphenyl)methyl]-.

Find more compounds similar to 3-Methoxybenzylisothiocyanate.

Sources

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