Chemical Properties of 2-Isothiocyanato-4-methylpentanoic acid ethyl ester

2-Isothiocyanato-4-methylpentanoic acid ethyl ester

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InChI
InChI=1S/C9H15NO2S/c1-4-12-9(11)8(10-6-13)5-7(2)3/h7-8H,4-5H2,1-3H3
InChI Key
VHNAJHMXSVGFSZ-UHFFFAOYSA-N
Formula
C9H15NO2S
SMILES
CCOC(=O)C(CC(C)C)N=C=S
Molecular Weight1
201.29
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Physical Properties

Property Value Unit Source
ΔfH°gas -200.38 kJ/mol Joback Calculated Property
ΔvapH° 54.45 kJ/mol Joback Calculated Property
log10WS -2.26 Crippen Calculated Property
logPoct/wat 2.067 Crippen Calculated Property
McVol 162.840 ml/mol McGowan Calculated Property
Pc 2505.01 kPa Joback Calculated Property
Inp 1355.40 NIST
Tboil 626.68 K Joback Calculated Property
Tc 845.39 K Joback Calculated Property

Similar Compounds

Ethyl 2-isocyanato-4-methyl valerate. 2-Isothiocyanato-hexanoic acid ethyl ester. 2-Isothiocyanato-3-methylpentanoic acid ethyl ester. 2,6-diisothiocyanato-hexanoic acid ethyl ester. L-Leucine, N-dimethylaminomethylene-, ethyl ester. L-Leucine, ethyl ester. L-Leucine, N-dimethylaminomethylene-, butyl ester. Diethyl 2-isothiocyanatoglutarate. L-Leucine, N-dimethylaminomethylene-, methyl ester. l-Norvaline, N-allyloxycarbonyl-, isohexyl ester. l-Norvaline, N-ethoxycarbonyl-, ethyl ester. l-Norvaline, N-methoxycarbonyl-, propyl ester. l-Norvaline, N-ethoxycarbonyl-, isobutyl ester. l-Norvaline, n-butoxycarbonyl-, ethyl ester. l-Norvaline, N-isobutoxycarbonyl-, nonyl ester.

Find more compounds similar to 2-Isothiocyanato-4-methylpentanoic acid ethyl ester.

Sources

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