Chemical Properties of Propanediamide (CAS 108-13-4)

Propanediamide

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InChI
InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChI Key
WRIRWRKPLXCTFD-UHFFFAOYSA-N
Formula
C3H6N2O2
SMILES
NC(=O)CC(N)=O
Molecular Weight1
102.09
CAS
108-13-4
Other Names
  • Carboxamidoacetamide
  • Malonamide
  • Malondiamide
  • Malonic acid diamide
  • Malonodiamide
  • Malonyldiamide
Sources

Physical Properties

Property Value Unit Source
Δcsolid -1495.21 ± 0.26 kJ/mol NIST
Δcsolid -1491.90 ± 1.50 kJ/mol NIST
Δf -150.56 kJ/mol Joback Calculated Property
Δfgas -416.40 ± 0.40 kJ/mol NIST
Δfsolid -542.81 ± 0.53 kJ/mol NIST
Δfsolid -546.10 ± 1.50 kJ/mol NIST
Δfus 17.12 kJ/mol Joback Calculated Property
Δsub 126.40 ± 0.50 kJ/mol NIST
Δvap 57.05 kJ/mol Joback Calculated Property
logPoct/wat -1.65 Crippen Calculated Property
Pc 6239.25 kPa Joback Calculated Property
Tboil 520.84 K Joback Calculated Property
Tc 742.06 K Joback Calculated Property
Tfus 389.95 K Joback Calculated Property
Vc 0.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 166.39 J/mol×K 520.84 Joback Calculated Property
Cp,solid 124.00 J/mol×K 298.15 NIST
ΔfusH 1.90 kJ/mol 393.0 NIST
ΔfusH 35.80 kJ/mol 443.0 NIST
ΔsubH 126.40 kJ/mol 298.15 NIST
ΔfusS 4.83 J/mol×K 393.0 NIST
ΔfusS 80.81 J/mol×K 443.0 NIST
ΔsubS 423.90 J/mol×K 298.15 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 1
>C=O (nonring) 2
-NH2 2

Similar Compounds

Propanamide. 2-Methylmalonodiamide. Propanedioyl dihydrazide. Propanamide, 2-methyl-. Butanamide. Acetamide, 2-cyano-. Propanamide, N-methyl-. 3-Chloropropionamide. Propanamide, 2,2-dimethyl-. Pentanamide. 2-Chloropropionamide. Methacrylamide. Butanamide, 3-methyl-. Propanamide, 2-hydroxy-. Propanamide, N-ethyl-.

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