Chemical Properties of .alpha.-Cyanopropionaldehyde (CAS 26692-50-2)

.alpha.-Cyanopropionaldehyde

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InChI
InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3
InChI Key
IATHTLTVQXMDPC-UHFFFAOYSA-N
Formula
C4H5NO
SMILES
CC(C#N)C=O
Molecular Weight1
83.09
CAS
26692-50-2
Sources

Physical Properties

Property Value Unit Source
Δf 14.02 kJ/mol Joback Calculated Property
Δfgas -51.87 kJ/mol Joback Calculated Property
Δfus 6.39 kJ/mol Joback Calculated Property
Δvap 41.31 kJ/mol Joback Calculated Property
logPoct/wat 0.34 Crippen Calculated Property
Pc 4189.32 kPa Joback Calculated Property
Tboil 441.22 K Joback Calculated Property
Tc 645.11 K Joback Calculated Property
Tfus 226.83 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 129.31 J/mol×K 441.22 Joback Calculated Property
Cp,liquid 169.50 J/mol×K 300.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CN 1
-CH3 1
O=CH- (aldehyde) 1

Similar Compounds

Propanal, 2-methyl-. Propanenitrile, 2-methyl-. Sodium 2-cyanopropionate. NCC(CH3)CO. .beta.-Cyanopropionaldehyde. 1,1-Dicyanoethane. Propanenitrile, 2,2-dimethyl-. Propanal, 2,2-dimethyl-. Propanenitrile, 2-oxo-. Acetamide, 2-cyano-. Acetic acid, cyano-. Butanal, 2-methyl-. Butanenitrile, 2-methyl-. (S)-2-methylbutanal. 3-Mercapto-2-methylpropanal.

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