Chemical Properties of 1,3-Diazine (CAS 289-95-2)

1,3-Diazine

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InChI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChI Key
CZPWVGJYEJSRLH-UHFFFAOYSA-N
Formula
C4H4N2
SMILES
c1cncnc1
Molecular Weight1
80.09
CAS
289-95-2
Other Names
  • 1,3-Diazabenzene
  • Metadiazine
  • Miazine
  • Py
  • Pyr
  • Pyrimidine
  • m-Diazine
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Physical Properties

Property Value Unit Source
PAff 885.80 kJ/mol NIST
BasG 855.70 kJ/mol NIST
Δcliquid [-2292.30; -2288.90] kJ/mol Show Hide
Δcliquid -2288.90 ± 1.80 kJ/mol NIST
Δcliquid -2292.30 ± 0.84 kJ/mol NIST
EA -0.25 eV NIST
Δfgas [195.80; 195.90] kJ/mol Show Hide
Δfgas 195.80 ± 1.50 kJ/mol NIST
Δfgas 195.90 ± 1.40 kJ/mol NIST
Δfliquid [143.20; 146.60] kJ/mol Show Hide
Δfliquid 143.20 ± 1.80 kJ/mol NIST
Δfliquid 146.60 ± 0.84 kJ/mol NIST
IE [9.10; 9.73] eV Show Hide
IE 9.33 ± 0.07 eV NIST
IE 9.10 eV NIST
IE 9.23 eV NIST
IE 9.32 ± 0.01 eV NIST
IE 9.42 eV NIST
IE 9.35 ± 0.01 eV NIST
IE 9.73 ± 0.03 eV NIST
IE 9.73 eV NIST
IE 9.73 eV NIST
log10WS [1.10; 1.10]   Show Hide
log10WS 1.10 Aq. Sol...
log10WS 1.10 Estimat...
logPoct/wat 0.477 Crippen Calculated Property
McVol 63.420 ml/mol McGowan Calculated Property
Inp [702.00; 744.00]   Show Hide
Inp 744.00 NIST
Inp 744.00 NIST
Inp 744.00 NIST
Inp 702.00 NIST
Inp 718.40 NIST
Inp 728.00 NIST
Inp 718.40 NIST
I [1257.00; 1318.00]   Show Hide
I 1303.00 NIST
I 1308.00 NIST
I 1318.00 NIST
I 1257.00 NIST
I 1276.00 NIST
I 1303.00 NIST
I 1257.00 NIST
Tboil 396.70 K NIST
Tfus 294.48 K Aq. Sol...

Similar Compounds

Pyrimidine, 2-chloro-. 2-Bromopyrimidine. 2(1H)-Pyrimidinone. Pyrimidine, 5-bromo-. 2-Mercaptopyrimidine. Pyrimidine, 2-methyl-. 2,2'-Bipyrimidine. Pyrimidine, 2-methoxy-. 4-Aminopyrimidine. Pyrimidine, 2-(methylthio)-. Pyrimidine, 4-methyl-. 4(1H)-Pyrimidinone. 3H-pyrimidin-4-one. 2-Dimethylaminopyrimidine. Pyrimidine,2,4-difluoro-.

Find more compounds similar to 1,3-Diazine.

Sources

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