Chemical Properties of Diethyl 2-isothiocyanatoglutarate (CAS 58560-28-4)

Diethyl 2-isothiocyanatoglutarate

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InChI
InChI=1S/C10H15NO4S/c1-3-14-9(12)6-5-8(11-7-16)10(13)15-4-2/h8H,3-6H2,1-2H3
InChI Key
BEIMBFWLTYKYLU-UHFFFAOYSA-N
Formula
C10H15NO4S
SMILES
CCOC(=O)CCC(N=C=S)C(=O)OCC
Molecular Weight1
245.29
CAS
58560-28-4
Other Names
  • 2-Isothiocyanato-pentanedioic acid diethyl ester
  • Glutaric acid, 2-isothiocyanato-, diethyl ester
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Physical Properties

Property Value Unit Source
Δfgas -460.54 kJ/mol Joback Calculated Property
Δvap 66.22 kJ/mol Joback Calculated Property
log10WS -1.78 Crippen Calculated Property
logPoct/wat 1.364 Crippen Calculated Property
McVol 184.370 ml/mol McGowan Calculated Property
Pc 2365.67 kPa Joback Calculated Property
Inp [1659.60; 1659.60]   Show Hide
Inp 1659.60 NIST
Inp 1659.60 NIST
Tboil 726.29 K Joback Calculated Property
Tc 941.32 K Joback Calculated Property

Similar Compounds

2-Isothiocyanato-hexanoic acid ethyl ester. 2,6-diisothiocyanato-hexanoic acid ethyl ester. 2-Isothiocyanato-4-methylpentanoic acid ethyl ester. L-Glutamic acid, N-dimethylaminomethylene-, dimethyl ester. DL-2-Aminoadipic acid, N-dimethylaminomethylene-, diethyl ester. 2-Pyrrolidinecarboxylic acid-5-oxo-, ethyl ester. 2-Isothiocyanato-butyric acid ethyl ester. Ethyl 2-isocyanato-4-methyl valerate. l-Norvaline, N-ethoxycarbonyl-, ethyl ester. l-Norvaline, N-methoxycarbonyl-, propyl ester. l-Norvaline, N-ethoxycarbonyl-, butyl ester. D-Ornithine, N,N'-bis(dimethylaminomethylene)-, ethyl ester. 2-Isothiocyanato-3-methylpentanoic acid ethyl ester. 2-Isothiocyanato-succinic acid diethyl ester. DL-2-Aminoadipic acid, N-dimethylaminomethylene-, dibutyl ester.

Find more compounds similar to Diethyl 2-isothiocyanatoglutarate.

Sources

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