Chemical Properties of 3-Thiopheneacetic acid (CAS 6964-21-2)

3-Thiopheneacetic acid

InChI
InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChI Key
RCNOGGGBSSVMAS-UHFFFAOYSA-N
Formula
C6H6O2S
SMILES
O=C(O)Cc1ccsc1
Molecular Weight1
142.18
CAS
6964-21-2
Other Names
  • 3-Thienylacetic acid
  • Thiophene-3-acetic acid
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Physical Properties

Property Value Unit Source
ω 0.6294 Relay (1.0) Calculated Property
Δf -204.88 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -285.22 kJ/mol Relay (1.0) Calculated Property
Δfus 18.80 kJ/mol Thermophysical properties of sulfur heterocycles: Thiane and thiophene derivatives
Δsub 100.90 ± 1.90 kJ/mol NIST
Δvap 72.81 kJ/mol Relay (1.0) Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
log10WS -1.27 Relay (1.0) Calculated Property
logPoct/wat 1.375 Crippen Calculated Property
McVol 99.730 ml/mol McGowan Calculated Property
Pc 4703.55 kPa Relay (1.0-beta) Calculated Property
Tboil 535.14 K Relay (1.0) Calculated Property
Tc 782.56 K Relay (1.0) Calculated Property
Tfus 365.47 K Relay (1.0) Calculated Property
Vc 0.336 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 18.80 kJ/mol 353.30 NIST

Similar Compounds

3-Thiopheneacetic acid, methyl ester. Ethyl 3-thiopheneacetate. 3-Thiopheneethanol. 2-Propanone, 1-(3-thienyl). 3-Thiopheneacetonitrile. Thiophene, 3-ethyl-. Thiophene, 3-propyl-. 3-Butylthiophene. Thianaphthene-3-acetic acid. 3-(4,8,12-Trimethyltridecyl)thiophene. 5-Chlorobenzo[b]thiophene-3-acetic acid. Thiophene, 3-(1-methylethyl)-. 3-Hexylthiophene. 3-n-Hexadecylthiophene. 3-Octylthiophene.

Find more compounds similar to 3-Thiopheneacetic acid.

Sources

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