Chemical Properties of 2-Isothiocyanato-3-methylbutyric acid ethyl ester

2-Isothiocyanato-3-methylbutyric acid ethyl ester

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InChI
InChI=1S/C8H13NO2S/c1-4-11-8(10)7(6(2)3)9-5-12/h6-7H,4H2,1-3H3
InChI Key
MWCPMVGNNCNZPM-UHFFFAOYSA-N
Formula
C8H13NO2S
SMILES
CCOC(=O)C(N=C=S)C(C)C
Molecular Weight1
187.26
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Physical Properties

Property Value Unit Source
ΔfH°gas -179.74 kJ/mol Joback Calculated Property
ΔvapH° 52.22 kJ/mol Joback Calculated Property
log10WS -1.84 Crippen Calculated Property
logPoct/wat 1.677 Crippen Calculated Property
McVol 148.750 ml/mol McGowan Calculated Property
Pc 2764.26 kPa Joback Calculated Property
Inp 1271.00 NIST
Tboil 603.80 K Joback Calculated Property
Tc 826.50 K Joback Calculated Property

Similar Compounds

Methyl 2-isothiocyanato-3-methylbutyrate. 2-Isothiocyanato-3-methylpentanoic acid ethyl ester. L-Valine, N-dimethylaminomethylene-, ethyl ester. L-Valine, N-dimethylaminomethylene-, butyl ester. L-Valine, N-dimethylaminomethylene-, methyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, ethyl ester. 2-Isothiocyanato-4-methylpentanoic acid ethyl ester. L-Valine, ethyl ester. 2-Isothiocyanato-butyric acid ethyl ester. 2-Isothiocyanato-hexanoic acid ethyl ester. Diethyl 2-isothiocyanatoglutarate. L-Isoleucine, N-dimethylaminomethylene-, ethyl ester. 2,6-diisothiocyanato-hexanoic acid ethyl ester. L-2-Aminobutyric acid, N-dimethylaminomethylene-, ethyl ester. Ethyl 2-isocyanato-4-methyl valerate.

Find more compounds similar to 2-Isothiocyanato-3-methylbutyric acid ethyl ester.

Sources

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