Chemical Properties of Uracil (CAS 66-22-8)

Uracil

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InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChI Key
ISAKRJDGNUQOIC-UHFFFAOYSA-N
Formula
C4H4N2O2
SMILES
O=c1cc[nH]c(=O)[nH]1
Molecular Weight1
112.09
CAS
66-22-8
Other Names
  • 1H-Pyrimidine-2,4-dione
  • 2,4(1H,3H)-Pyrimidinedione
  • 2,4-Dihydroxypyrimidine
  • 2,4-Dioxopyrimidine
  • 2,4-Dioxypyrimidine
  • 2,4-Pyrimidinediol
  • 2,4-Pyrimidinedione
  • 2,6-Dihydroxypyrimidine
  • 2-Hydroxy-4(1H)-pyrimidinone
  • 2-Hydroxy-4(3H)-pyrimidinone
  • 4-Hydroxy-2(1H)-pyrimidinone
  • Hybar X
  • NSC 3970
  • Pirod
  • Pyrod
  • RU 12709
  • Ura
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Physical Properties

Property Value Unit Source
PAff [858.00; 872.70] kJ/mol Show Hide
PAff 872.70 kJ/mol NIST
PAff 858.00 kJ/mol NIST
BasG 841.70 kJ/mol NIST
Δcsolid [-1721.30; -1716.14] kJ/mol Show Hide
Δcsolid -1721.30 ± 2.20 kJ/mol NIST
Δcsolid -1716.14 ± 0.28 kJ/mol NIST
EA [0.05; 2.49] eV Show Hide
EA 0.08 eV NIST
EA 0.09 ± 0.01 eV NIST
EA 0.05 ± 0.04 eV NIST
EA 0.09 ± 0.01 eV NIST
EA 2.49 ± 0.10 eV NIST
Δfgas -303.10 ± 2.30 kJ/mol NIST
Δfsolid [-429.56; -424.40] kJ/mol Show Hide
Δfsolid -424.40 ± 2.50 kJ/mol NIST
Δfsolid -429.56 ± 0.60 kJ/mol NIST
Δsub [84.00; 131.00] kJ/mol Show Hide
Δsub 131.00 ± 5.00 kJ/mol NIST
Δsub 126.50 ± 2.20 kJ/mol NIST
Δsub 84.00 kJ/mol NIST
IE [9.20; 9.80] eV Show Hide
IE Outlier 9.20 eV NIST
IE 9.40 ± 0.10 eV NIST
IE 9.53 ± 0.02 eV NIST
IE 9.80 ± 0.10 eV NIST
IE 9.68 eV NIST
IE 9.60 eV NIST
IE 9.45 eV NIST
IE 9.50 ± 0.03 eV NIST
IE 9.59 eV NIST
log10WS [-1.61; -1.49]   Show Hide
log10WS -1.61 Aq. Sol...
log10WS -1.49 Estimat...
logPoct/wat -1.901 Crippen Calculated Property
McVol 75.160 ml/mol McGowan Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid [120.50; 157.40] J/mol×K [298.00; 343.15] Show Hide
Cp,solid 120.50 J/mol×K 298.00 NIST
Cp,solid 131.80 J/mol×K 298.15 Heat Ca...
Cp,solid 135.50 J/mol×K 303.15 Heat Ca...
Cp,solid 140.90 J/mol×K 308.15 Heat Ca...
Cp,solid 143.00 J/mol×K 313.15 Heat Ca...
Cp,solid 146.10 J/mol×K 318.15 Heat Ca...
Cp,solid 149.00 J/mol×K 323.15 Heat Ca...
Cp,solid 151.80 J/mol×K 328.15 Heat Ca...
Cp,solid 154.30 J/mol×K 333.15 Heat Ca...
Cp,solid 156.80 J/mol×K 338.15 Heat Ca...
Cp,solid 157.40 J/mol×K 343.15 Heat Ca...
ΔsubH [101.30; 134.00] kJ/mol [375.00; 522.50] Show Hide
ΔsubH 125.30 ± 0.20 kJ/mol 375.00 NIST
ΔsubH 120.50 ± 1.30 kJ/mol 403.00 NIST
ΔsubH 101.30 kJ/mol 405.00 NIST
ΔsubH 121.70 kJ/mol 425.00 NIST
ΔsubH 120.50 ± 5.20 kJ/mol 425.50 NIST
ΔsubH 126.50 ± 2.20 kJ/mol 440.00 NIST
ΔsubH 127.00 ± 2.00 kJ/mol 444.00 NIST
ΔsubH 130.60 ± 4.00 kJ/mol 519.50 NIST
ΔsubH 134.00 ± 8.00 kJ/mol 522.50 NIST
Psub [2.20e-04; 9.05e-03] kPa [424.00; 472.40] Show Hide
Psub 2.20e-04 kPa 424.00 Thermoc...
Psub 5.10e-04 kPa 434.10 Thermoc...
Psub 8.60e-04 kPa 440.00 Thermoc...
Psub 1.35e-03 kPa 446.00 Thermoc...
Psub 2.12e-03 kPa 451.90 Thermoc...
Psub 3.17e-03 kPa 457.70 Thermoc...
Psub 4.70e-03 kPa 462.60 Thermoc...
Psub 6.73e-03 kPa 467.40 Thermoc...
Psub 9.05e-03 kPa 472.40 Thermoc...
ρl [1070.30; 1097.60] kg/m3 [298.15; 343.15] Show Hide
ρl 1097.60 kg/m3 298.15 Nucleic...
ρl 1094.50 kg/m3 303.15 Nucleic...
ρl 1091.40 kg/m3 308.15 Nucleic...
ρl 1088.40 kg/m3 313.15 Nucleic...
ρl 1085.30 kg/m3 318.15 Nucleic...
ρl 1082.30 kg/m3 323.15 Nucleic...
ρl 1079.30 kg/m3 328.15 Nucleic...
ρl 1076.20 kg/m3 333.15 Nucleic...
ρl 1073.30 kg/m3 338.15 Nucleic...
ρl 1070.30 kg/m3 343.15 Nucleic...

Similar Compounds

2,4(1H,3H)-Pyrimidinedione, 5-chloro-. 2-Thiouracil. 5-Iodouracil. 2,4(1H,3H)-Pyrimidinedione, 5-bromo-. 5-Fluorouracil. Thymine. 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-. Uracil, 1-methyl-. 2,4(1H,3H)-Pyrimidinedione, 5-amino-. 2,4(1H,3H)-Pyrimidinedione, 5-nitro-. 4(1H)-Pyrimidinone. 3H-pyrimidin-4-one. 6-Chlorouracil. 6-Methyluracil. Orotic acid.

Find more compounds similar to Uracil.

Mixtures

Sources

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