Chemical Properties of Thiophene, 3-bromo- (CAS 872-31-1)

Thiophene, 3-bromo-

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InChI
InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChI Key
XCMISAPCWHTVNG-UHFFFAOYSA-N
Formula
C4H3BrS
SMILES
Brc1ccsc1
Molecular Weight1
163.04
CAS
872-31-1
Other Names
  • 3-Bromothiophene
  • 3-Thienyl bromide
  • «beta»-Bromothiophene
  • «beta»-Bromothiophene
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Physical Properties

Property Value Unit Source
IE [8.81; 9.02] eV Show Hide
IE 8.87 eV NIST
IE 8.81 ± 0.01 eV NIST
IE 8.81 eV NIST
IE 9.02 ± 0.05 eV NIST
IE 8.90 ± 0.05 eV NIST
IE 8.97 eV NIST
log10WS -2.39 Crippen Calculated Property
logPoct/wat 2.511 Crippen Calculated Property
McVol 81.610 ml/mol McGowan Calculated Property
Inp [983.00; 983.00]   Show Hide
Inp 983.00 NIST
Inp 983.00 NIST
Tboil [423.20; 432.70] K Show Hide
Tboil 423.20 K NIST
Tboil 432.70 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 28.90 kJ/mol 353.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [280.82; 472.88] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.29748e+01
Coefficient B-3.71689e+03
Coefficient C1.21420e+01
Temperature range, min.280.82
Temperature range, max.472.88
Pvap 1.33 kPa 280.82 Calculated Property
Pvap 3.15 kPa 302.16 Calculated Property
Pvap 6.69 kPa 323.50 Calculated Property
Pvap 12.97 kPa 344.84 Calculated Property
Pvap 23.34 kPa 366.18 Calculated Property
Pvap 39.44 kPa 387.52 Calculated Property
Pvap 63.19 kPa 408.86 Calculated Property
Pvap 96.74 kPa 430.20 Calculated Property
Pvap 142.42 kPa 451.54 Calculated Property
Pvap 202.64 kPa 472.88 Calculated Property

Similar Compounds

Thiophene, 3,4-dibromo-. Thiophene, 2,3-dibromo-. Thiophene, 2-bromo-. Thiophene. 3-Iodothiophene. 3-Chlorothiophene. 3-Thiophenecarbonitrile. 2,3,4-Tribromothiophene. 3-Thiophenethiol. 3-nitrothiophene. Thiophene, 2-iodo-. Thiophene, 3-methyl-. Thiophene, 3-methoxy-. 3-Thiophenecarboxaldehyde. 2-Thiophenethiol.

Find more compounds similar to Thiophene, 3-bromo-.

Sources

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