Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl- (CAS 874-14-6)

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-

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InChI
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3
InChI Key
JSDBKAHWADVXFU-UHFFFAOYSA-N
Formula
C6H8N2O2
SMILES
Cn1ccc(=O)n(C)c1=O
Molecular Weight1
140.14
CAS
874-14-6
Other Names
  • 1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione
  • 1,3-dimethyluracil
  • 2,4-Dihydroxy-1,3-dimethylpyrimidine
  • N,N'-Dimethyluracil
  • N1,N3-Dimethyluracil
  • Uracil, 1,3-dimethyl-
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Physical Properties

Property Value Unit Source
Δcsolid -3093.87 ± 0.29 kJ/mol NIST
EA 0.04 ± 0.10 eV NIST
Δfgas -313.60 ± 1.50 kJ/mol NIST
Δfsolid -410.50 ± 0.90 kJ/mol NIST
Δsub [92.00; 96.90] kJ/mol Show Hide
Δsub 96.90 ± 1.20 kJ/mol NIST
Δsub 96.40 ± 1.40 kJ/mol NIST
Δsub 92.00 kJ/mol NIST
Δvap 71.00 ± 3.00 kJ/mol NIST
IE [8.80; 9.00] eV Show Hide
IE 8.80 ± 0.10 eV NIST
IE 9.00 eV NIST
log10WS -2.89 Crippen Calculated Property
logPoct/wat -0.916 Crippen Calculated Property
McVol 103.340 ml/mol McGowan Calculated Property
Tfus 392.50 ± 0.50 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [170.00; 206.80] J/mol×K [298.15; 343.15] Show Hide
Cp,solid 182.50 J/mol×K 298.15 Heat Ca...
Cp,solid 170.00 J/mol×K 298.15 NIST
Cp,solid 185.40 J/mol×K 303.15 Heat Ca...
Cp,solid 188.70 J/mol×K 308.15 Heat Ca...
Cp,solid 191.20 J/mol×K 313.15 Heat Ca...
Cp,solid 193.80 J/mol×K 318.15 Heat Ca...
Cp,solid 196.40 J/mol×K 323.15 Heat Ca...
Cp,solid 199.10 J/mol×K 328.15 Heat Ca...
Cp,solid 201.00 J/mol×K 333.15 Heat Ca...
Cp,solid 203.30 J/mol×K 338.15 Heat Ca...
Cp,solid 206.80 J/mol×K 343.15 Heat Ca...
ΔfusH [14.60; 23.10] kJ/mol [392.50; 398.00] Show Hide
ΔfusH 23.10 kJ/mol 392.50 NIST
ΔfusH 14.60 kJ/mol 398.00 NIST
ΔfusH 14.60 kJ/mol 398.00 NIST
ΔsubH [46.00; 115.80] kJ/mol [298.15; 427.00] Show Hide
ΔsubH 96.90 kJ/mol 298.15 NIST
ΔsubH 101.70 ± 2.10 kJ/mol 338.00 NIST
ΔsubH 115.80 ± 3.00 kJ/mol 339.00 NIST
ΔsubH 92.00 kJ/mol 357.00 NIST
ΔsubH 46.00 ± 4.20 kJ/mol 427.00 NIST
Psub [1.09e-05; 0.02] kPa [293.30; 360.50] Show Hide
Psub 1.09e-05 kPa 293.30 Sublima...
Psub 2.17e-05 kPa 298.30 Sublima...
Psub 3.65e-05 kPa 302.20 Sublima...
Psub 6.46e-05 kPa 306.60 Sublima...
Psub 7.73e-05 kPa 308.20 Sublima...
Psub 1.24e-04 kPa 312.10 Sublima...
Psub 1.76e-04 kPa 315.00 Sublima...
Psub 2.47e-04 kPa 318.00 Sublima...
Psub 3.95e-04 kPa 321.90 Sublima...
Psub 5.27e-04 kPa 324.80 Sublima...
Psub 7.41e-04 kPa 327.80 Sublima...
Psub 1.09e-03 kPa 331.80 Sublima...
Psub 1.42e-03 kPa 334.90 Sublima...
Psub 1.32e-03 kPa 335.10 Sublima...
Psub 1.99e-03 kPa 337.60 Sublima...
Psub 1.86e-03 kPa 338.00 Sublima...
Psub 2.64e-03 kPa 341.90 Sublima...
Psub 3.60e-03 kPa 344.90 Sublima...
Psub 4.90e-03 kPa 347.80 Sublima...
Psub 6.69e-03 kPa 351.70 Sublima...
Psub 9.03e-03 kPa 354.70 Sublima...
Psub 0.01 kPa 357.70 Sublima...
Psub 0.02 kPa 360.50 Sublima...
ΔfusS 58.90 J/mol×K 392.50 NIST
ΔsubS 325.00 J/mol×K 298.15 NIST

Similar Compounds

Uracil, 1-methyl-. 2,4(1H,3H)-Pyrimidinedione, 1,3,5-trimethyl-. 2(1H)Pyrimidinone,1-methyl-. 1,3-Dimethyl-5-ethyluracil. Uracil, 1,3-bis(p-nitrobenzyl)-. 6-Chloro-2,4-dihydroxy-1,3-dimethylpyrimidine. Uracil, 5-(methoxymethyl)-1,3-dimethyl-. 2,4(1H,3H)-Pyrimidinedione, 1,3,6-trimethyl-. Uracil, 1,3-diethyl-5-fluoro-. 6-Amino-1,3-dimethyluracil. 2(1H)Pyrimidinone,4-amino-1,N-dimethyl-. Theophylline. Amisometradine. 1-Methylthymine. 4-Methoxy-1-methyl-2-pyrimidinone.

Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-.

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