Chemical Properties of Furfuryl isothiocyanate (CAS 4650-60-6)

Furfuryl isothiocyanate

InChI
InChI=1S/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2
InChI Key
ICXYINJACKJQQV-UHFFFAOYSA-N
Formula
C6H5NOS
SMILES
S=C=NCc1ccco1
Molecular Weight1
139.18
CAS
4650-60-6
Other Names
  • Furan, 2-(isothiocyanatomethyl)-
  • 2-furfuryl isothiocyanate
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Physical Properties

Property Value Unit Source
ω 0.3421 Relay (1.0) Calculated Property
ΔfG° 168.73 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas 159.95 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 54.99 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -2.08 Relay (1.0) Calculated Property
logPoct/wat 1.882 Crippen Calculated Property
McVol 99.540 ml/mol McGowan Calculated Property
Pc 4322.06 kPa Relay (1.0-beta) Calculated Property
Tboil 472.66 K Relay (1.0) Calculated Property
Tc 711.26 K Relay (1.0) Calculated Property
Tfus 273.21 K Relay (1.0) Calculated Property
Vc 0.358 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2-Furanmethanamine. Furan, 2-methyl-. 2-Furanmethanol. N-(5-Methylfurfuryl)dimethylamine. 1-furfurylpyrrolidine. Furan, 2-(methoxymethyl)-. 2-furfuryl hydrodisulfide. Furan, 2-ethyl-. 2-Furfurylthiol. Bis(2-furfuryl)disulfide. Furfuryl formate. 2-Furanmethanol, acetate. Furan, 2-[(methyldithio)methyl]-. Furan, 2,2'-[oxybis(methylene)]bis-. Furan, 2,2'-methylenebis-.

Find more compounds similar to Furfuryl isothiocyanate.

Sources

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