Chemical Properties of Ethyl 4-isothiocyanatobutyrate (CAS 17126-65-7)

Ethyl 4-isothiocyanatobutyrate

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InChI
InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3
InChI Key
FAGABVVHWPYGBK-UHFFFAOYSA-N
Formula
C7H11NO2S
SMILES
CCOC(=O)CCCN=C=S
Molecular Weight1
173.23
CAS
17126-65-7
Other Names
  • Ethyl 4-isothiocyanatobutanoate
  • 4-Isothiocyanato-butyric acid ethyl ester
  • Butyric acid, 4-isothiocyanato-, ethyl ester
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Physical Properties

Property Value Unit Source
Δfgas -148.54 kJ/mol Joback Calculated Property
Δvap 50.77 kJ/mol Joback Calculated Property
log10WS -1.55 Crippen Calculated Property
logPoct/wat 1.433 Crippen Calculated Property
McVol 134.660 ml/mol McGowan Calculated Property
Pc 3012.33 kPa Joback Calculated Property
Inp [1346.80; 1346.80]   Show Hide
Inp 1346.80 NIST
Inp 1346.80 NIST
Tboil 581.80 K Joback Calculated Property
Tc 799.17 K Joback Calculated Property

Similar Compounds

6-Isothiocyanato-hexanoic acid ethyl ester. Ethyl 6-isocyanatohexanoate. Diethyl 2-isothiocyanatoglutarate. ethyl butanoate-d3. Butanoic acid, ethyl ester. Ethyl 3-isothiocyanatobutyrate. 5-Aminovaleric acid, N-dimethylaminomethylene-, ethyl ester. Pentanedioic acid, diethyl ester. Pentanedioic acid, ethyl methyl ester. Butanoic acid, 4-nitro-, methyl ester. 1-(3-Methoxycarbonylpropyl)-2-methoxydiazen-1-oxide. Glutaric acid, ethyl propyl ester. Glutaric acid, ethyl isopropyl ester. Ethyl 4-bromobutyrate. Butanoic acid, 4-chloro-, ethyl ester.

Find more compounds similar to Ethyl 4-isothiocyanatobutyrate.

Sources

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