Chemical Properties of Thiazole (CAS 288-47-1)

Thiazole

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InChI
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChI Key
FZWLAAWBMGSTSO-UHFFFAOYSA-N
Formula
C3H3NS
SMILES
c1cscn1
Molecular Weight1
85.13
CAS
288-47-1
Other Names
  • 1,3-thiazole
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Physical Properties

Property Value Unit Source
PAff 904.00 kJ/mol NIST
BasG 872.10 kJ/mol NIST
Cp,liquid 122.10 J/mol×K Thermop...
IE 9.50 eV NIST
log10WS -0.99 Crippen Calculated Property
logPoct/wat 1.143 Crippen Calculated Property
McVol 60.000 ml/mol McGowan Calculated Property
Inp [686.00; 760.00]   Show Hide
Inp 760.00 NIST
Inp 760.00 NIST
Inp 729.00 NIST
Inp 735.00 NIST
Inp 705.00 NIST
Inp 709.00 NIST
Inp 739.00 NIST
Inp 730.00 NIST
Inp 730.00 NIST
Inp 706.00 NIST
Inp 686.00 NIST
Inp 707.00 NIST
Inp 707.00 NIST
Inp 707.00 NIST
Inp 707.00 NIST
Inp 694.00 NIST
Inp 740.00 NIST
Inp 735.00 NIST
Inp 760.00 NIST
Inp 711.00 NIST
Inp 728.00 NIST
Inp 726.00 NIST
Inp 709.00 NIST
Inp 703.00 NIST
Inp 716.00 NIST
Inp 742.00 NIST
Inp 745.00 NIST
Inp 707.00 NIST
Inp 705.00 NIST
Inp 709.00 NIST
Inp 715.00 NIST
Inp 735.00 NIST
Inp 740.00 NIST
Inp 688.00 NIST
Inp 760.00 NIST
I [1210.00; 1270.00]   Show Hide
I 1259.00 NIST
I 1238.00 NIST
I Outlier 1210.00 NIST
I 1244.00 NIST
I 1252.00 NIST
I 1265.00 NIST
I 1249.00 NIST
I 1262.00 NIST
I 1229.00 NIST
I 1270.00 NIST
I 1270.00 NIST
I 1270.00 NIST
I 1239.00 NIST
I 1248.00 NIST
I 1247.00 NIST
I 1240.00 NIST
I 1235.00 NIST
I 1239.00 NIST
I 1235.00 NIST
I 1240.00 NIST
I 1262.00 NIST
I 1260.00 NIST
I 1246.00 NIST
I 1246.00 NIST
I 1262.00 NIST
liquid [169.95; 169.95] J/mol×K Show Hide
liquid 169.95 J/mol×K NIST
liquid 169.95 J/mol×K NIST
Tboil [390.70; 391.39] K Show Hide
Tboil 390.70 K NIST
Tboil 391.39 ± 0.20 K NIST
Tfus 239.58 ± 0.05 K NIST
Ttriple [239.48; 239.53] K Show Hide
Ttriple 239.53 ± 0.02 K NIST
Ttriple 239.48 ± 0.02 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [121.00; 121.00] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 121.00 J/mol×K 298.15 NIST
Cp,liquid 121.00 J/mol×K 298.15 NIST
ΔfusH [9.54; 9.59] kJ/mol [239.40; 239.53] Show Hide
ΔfusH 9.58 kJ/mol 239.40 NIST
ΔfusH 9.59 kJ/mol 239.48 NIST
ΔfusH 9.54 kJ/mol 239.53 NIST
ΔvapH [38.90; 39.70] kJ/mol [363.00; 363.50] Show Hide
ΔvapH 39.70 kJ/mol 363.00 NIST
ΔvapH 38.90 kJ/mol 363.50 NIST
ΔfusS [40.04; 40.04] J/mol×K [239.48; 239.53] Show Hide
ΔfusS 40.04 J/mol×K 239.48 NIST
ΔfusS 40.04 J/mol×K 239.53 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [288.81; 416.27] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47286e+01
Coefficient B-3.45024e+03
Coefficient C-4.98900e+01
Temperature range, min.288.81
Temperature range, max.416.27
Pvap 1.33 kPa 288.81 Calculated Property
Pvap 2.99 kPa 302.97 Calculated Property
Pvap 6.16 kPa 317.13 Calculated Property
Pvap 11.80 kPa 331.30 Calculated Property
Pvap 21.23 kPa 345.46 Calculated Property
Pvap 36.20 kPa 359.62 Calculated Property
Pvap 58.92 kPa 373.78 Calculated Property
Pvap 92.06 kPa 387.95 Calculated Property
Pvap 138.77 kPa 402.11 Calculated Property
Pvap 202.65 kPa 416.27 Calculated Property

Similar Compounds

Thiazole, 2-bromo-. 2-Mercaptothiazole. Aminothiazole. Thiazole, 2-methyl-. 2-Methylthiazole. 4-Methylthiazole. Thiazole, 2-methoxy-. Thiazole, 5-methyl-. Thiazole, 5-methoxy-. 2-Acetylthiazole. Thiazole, 2-ethoxy-. 4-Ethyl-1,3-thiazole. Thiazole, 2-ethyl-. 2-Acetamidothiazole. Thiophene.

Find more compounds similar to Thiazole.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.