Chemical Properties of 2,3-Thiophenedicarboxylic acid (CAS 1451-95-2)

2,3-Thiophenedicarboxylic acid

InChI
InChI=1S/C6H4O4S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChI Key
HIHKYDVSWLFRAY-UHFFFAOYSA-N
Formula
C6H4O4S
SMILES
O=C(O)c1ccsc1C(=O)O
Molecular Weight1
172.16
CAS
1451-95-2
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Physical Properties

Property Value Unit Source
ω 0.8241 Relay (1.0) Calculated Property
ΔfG° -447.34 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -631.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 103.74 kJ/mol Relay (1.0) Calculated Property
IE 9.28 eV Relay (1.0) Calculated Property
log10WS -1.64 Relay (1.0) Calculated Property
logPoct/wat 1.145 Crippen Calculated Property
McVol 107.170 ml/mol McGowan Calculated Property
Pc 4951.26 kPa Relay (1.0-beta) Calculated Property
Inp 1618.00 NIST
Tboil 561.30 K Relay (1.0) Calculated Property
Tc 873.71 K Relay (1.0) Calculated Property
Tfus 452.58 K Relay (1.0) Calculated Property
Vc 0.376 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3-Methyl-2-thiophenecarboxylic acid. Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Cytidine, 2',3',5'-tris(trimethylsilyl) ether. Bufotalin. «alpha»-Pseudouridine, TMS. uridine, TMS. N-(2-Furylmethyl)-N-tert-butyldimethylsilyl-9H-purin-6-amine. 3-Oxo-«alpha»-ionol, Gly, TFA. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7-phenyl. 2-Acetamido-2-deoxy-«alpha»-D-glucopyranose. Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate.

Find more compounds similar to 2,3-Thiophenedicarboxylic acid.

Sources

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