Chemical Properties of 1H-1,2,4-Triazole (CAS 288-88-0)

1H-1,2,4-Triazole

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InChI
InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChI Key
NSPMIYGKQJPBQR-UHFFFAOYSA-N
Formula
C2H3N3
SMILES
c1nc[nH]n1
Molecular Weight1
69.07
CAS
288-88-0
Other Names
  • 1,2,4-1H-Triazole
  • 1,2,4-Triazole
  • 4H-1,2,4-triazole
  • CGA-71019
  • Pyrrodiazole
  • s-Triazole
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Physical Properties

Property Value Unit Source
PAff 886.00 kJ/mol NIST
BasG 855.90 kJ/mol NIST
Δcsolid [-1328.90; -1323.66] kJ/mol Show Hide
Δcsolid -1324.40 ± 0.30 kJ/mol NIST
Δcsolid -1328.90 ± 1.20 kJ/mol NIST
Δcsolid -1323.66 ± 0.37 kJ/mol NIST
Δcsolid -1324.99 ± 0.90 kJ/mol NIST
Δcsolid -1325.00 kJ/mol NIST
Δfgas [188.50; 193.70] kJ/mol Show Hide
Δfgas 192.70 ± 0.80 kJ/mol NIST
Δfgas 193.70 ± 1.90 kJ/mol NIST
Δfgas 188.50 kJ/mol NIST
Δfgas 189.80 kJ/mol NIST
Δfsolid [107.89; 113.10] kJ/mol Show Hide
Δfsolid 108.70 ± 0.40 kJ/mol NIST
Δfsolid 113.10 ± 1.40 kJ/mol NIST
Δfsolid 107.89 ± 0.46 kJ/mol NIST
Δfsolid 109.22 ± 0.94 kJ/mol NIST
IE [9.80; 10.60] eV Show Hide
IE 9.80 eV NIST
IE 10.10 eV NIST
IE 10.60 eV NIST
IE 10.00 eV NIST
log10WS -0.22 Crippen Calculated Property
logPoct/wat -0.677 Crippen Calculated Property
McVol 49.520 ml/mol McGowan Calculated Property
Inp [1116.00; 1116.00]   Show Hide
Inp 1116.00 NIST
Inp 1116.00 NIST
Tboil [477.15; 533.20] K Show Hide
Tboil 533.20 K NIST
Tboil 477.15 ± 1.50 K NIST
Tfus [295.15; 393.50] K Show Hide
Tfus 393.50 ± 0.40 K NIST
Tfus 392.00 ± 0.50 K NIST
Tfus 295.15 ± 1.50 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 78.70 J/mol×K 298.15 NIST
ΔfusH [10.76; 16.10] kJ/mol [393.30; 393.50] Show Hide
ΔfusH 10.76 ± 0.08 kJ/mol 393.30 NIST
ΔfusH 16.10 kJ/mol 393.50 NIST
ΔfusH 16.10 kJ/mol 393.50 NIST
ΔfusH 16.10 kJ/mol 393.50 NIST

Similar Compounds

1H-1,2,4-Triazole, 3-bromo-. 1H-1,2,4-Triazole, 3-chloro-. 3H-1,2,4-Triazol-3-one, 1,2-dihydro-. 3-Amino-s-triazole. 1H-1,2,4-Triazole, 3-nitro-. 4H-1,2,4-Triazole, 4-methyl-. N-Nitro-1H-1,2,4-triazol-3-amine. 1-Methyl-1H-1,2,4-triazole. 1H-Tetrazole. 1,2,4-Triazine. 1-[1,2,4]Triazol-1-ylethanone. 1H-1,2,4-Triazole, 3-chloro-5-methyl-. 1H-1,2,4-Triazole, 3-propyl-. 1,2,4,5-Tetrazine. 1,3,5-Triazine-2,4(1H,3H)-dione.

Find more compounds similar to 1H-1,2,4-Triazole.

Mixtures

Sources

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