Chemical Properties of 1H-Pyrazole (CAS 288-13-1)

1H-Pyrazole

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InChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChI Key
WTKZEGDFNFYCGP-UHFFFAOYSA-N
Formula
C3H4N2
SMILES
c1cn[nH]c1
Molecular Weight1
68.08
CAS
288-13-1
Other Names
  • Pyrazole
  • 1,2-Diazole
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Physical Properties

Property Value Unit Source
PAff 894.10 kJ/mol NIST
BasG 860.50 kJ/mol NIST
Δfgas [177.40; 181.00] kJ/mol Show Hide
Δfgas 177.40 kJ/mol NIST
Δfgas 179.40 ± 0.80 kJ/mol NIST
Δfgas 181.00 ± 8.80 kJ/mol NIST
Δsub [62.80; 74.00] kJ/mol Show Hide
Δsub 74.00 ± 0.40 kJ/mol NIST
Δsub 74.00 kJ/mol NIST
Δsub 74.00 ± 0.40 kJ/mol NIST
Δsub 69.20 ± 0.30 kJ/mol NIST
Δsub 62.80 ± 4.20 kJ/mol NIST
Δsub 65.00 kJ/mol NIST
Δsub 67.80 kJ/mol NIST
IE [9.15; 9.38] eV Show Hide
IE 9.38 ± 0.03 eV NIST
IE 9.25 ± 0.01 eV NIST
IE 9.27 ± 0.05 eV NIST
IE 9.15 eV NIST
IE 9.15 eV NIST
log10WS -0.46 Crippen Calculated Property
logPoct/wat -0.072 Crippen Calculated Property
McVol 53.630 ml/mol McGowan Calculated Property
Inp [837.00; 864.00]   Show Hide
Inp 864.00 NIST
Inp 864.00 NIST
Inp 837.00 NIST
Inp 864.00 NIST
Inp 837.00 NIST
Tboil [460.15; 460.20] K Show Hide
Tboil 460.20 K NIST
Tboil 460.15 ± 1.50 K NIST
Tfus [333.10; 343.20] K Show Hide
Tfus 343.20 ± 0.40 K NIST
Tfus 333.10 ± 0.20 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [13.80; 14.20] kJ/mol [333.10; 343.20] Show Hide
ΔfusH 13.80 kJ/mol 333.10 NIST
ΔfusH 14.20 kJ/mol 343.20 NIST
ΔfusH 14.20 kJ/mol 343.20 NIST
ΔfusH 14.20 kJ/mol 343.20 NIST
ΔsubH [72.70; 74.30] kJ/mol [263.00; 277.50] Show Hide
ΔsubH 72.70 kJ/mol 263.00 NIST
ΔsubH 74.30 ± 0.40 kJ/mol 277.50 NIST
ΔfusS 41.43 J/mol×K 333.10 NIST

Similar Compounds

4-fluoropyrazole. 1H-Pyrazole, 4-chloro-. 1H-Pyrazole, 4-bromo-. Pyrazole, 4-iodo. 4-NH2-pyrazole. 1H-Pyrazole, 3-methyl-. 3-Aminopyrazole. Fomepizole. Pyrazole, 3-nitro-. 1H-Pyrazole, 4-nitro-. Pyridazine. 4,5-Dichloroimidazole. Ethanone, 1-(1H-pyrazol-4-yl)-. 3(5)-t-butylpyrazole. 1H-Pyrazole, 4-phenyl-.

Find more compounds similar to 1H-Pyrazole.

Sources

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