Chemical Properties of Propanal (CAS 123-38-6)

Propanal

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InChI
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChI Key
NBBJYMSMWIIQGU-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CCC=O
Molecular Weight1
58.08
CAS
123-38-6
Other Names
  • 1-Propanal
  • 1-Propanone
  • Aldehyde propionique
  • C2H5CHO
  • Methylacetaldehyde
  • NCI-C61029
  • NSC 6493
  • Propaldehyde
  • Propanalaldehyde
  • Propanaldehyde
  • Propional
  • Propionaldehyde
  • Propionic aldehyde
  • Proprionaldehyde
  • Propylaldehyde
  • Propylic aldehyde
  • UN 1275
  • n-Propanal
  • n-Propionaldehyde
Sources

Physical Properties

Property Value Unit Source
PAff 786.00 kJ/mol NIST
BasG 754.00 kJ/mol NIST
Δcliquid -1816.50 ± 0.75 kJ/mol NIST
EA 0.00 ± 0.00 eV NIST
Δf -125.14 kJ/mol Joback Calculated Property
Δfgas [-192.00; -186.00] kJ/mol Show Hide
Δfgas -188.70 ± 0.75 kJ/mol NIST
Δfgas -186.00 ± 1.50 kJ/mol NIST
Δfgas -190.60 ± 0.88 kJ/mol NIST
Δfgas -192.00 kJ/mol NIST
Δfliquid [-221.50; -215.70] kJ/mol Show Hide
Δfliquid -218.30 ± 0.63 kJ/mol NIST
Δfliquid -215.70 ± 1.50 kJ/mol NIST
Δfliquid -220.20 ± 0.96 kJ/mol NIST
Δfliquid -221.50 ± 0.75 kJ/mol NIST
Δfus 5.82 kJ/mol Joback Calculated Property
Δvap [29.50; 30.00] kJ/mol Show Hide
Δvap 29.96 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 29.64 ± 0.07 kJ/mol NIST
Δvap 29.70 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 29.70 ± 0.40 kJ/mol NIST
Δvap 29.70 ± 0.40 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 30.00 kJ/mol NIST
Δvap 30.00 kJ/mol NIST
Δvap 29.50 kJ/mol NIST
IE [9.82; 9.99] eV Show Hide
IE 9.96 ± 0.01 eV NIST
IE 9.96 eV NIST
IE 9.96 eV NIST
IE Outlier 9.82 ± 0.14 eV NIST
IE 9.95 eV NIST
IE 9.95 ± 0.01 eV NIST
IE 9.99 eV NIST
IE 9.97 ± 0.01 eV NIST
IE 9.94 eV NIST
IE 9.98 ± 0.01 eV NIST
IE 9.96 eV NIST
IE 9.85 eV NIST
logPoct/wat 0.595 Crippen Calculated Property
Pc [5260.00; 6869.84] kPa Show Hide
Pc 5260.00 ± 60.00 kPa NIST
Pc 5270.00 ± 100.00 kPa NIST
Pc 5270.00 ± 100.00 kPa NIST
Pc 6869.83 kPa NIST
Pc 6869.84 ± 202.60 kPa NIST
gas 304.40 ± 1.60 J/mol×K NIST
liquid 212.90 J/mol×K NIST
Tboil [319.40; 341.65] K Show Hide
Tboil 322.00 K NIST
Tboil 321.10 K NIST
Tboil 321.12 ± 0.20 K NIST
Tboil 321.17 ± 0.30 K NIST
Tboil 321.17 ± 0.05 K NIST
Tboil 321.15 K NIST
Tboil 322.15 ± 1.00 K NIST
Tboil 321.00 ± 0.10 K NIST
Tboil 321.15 ± 0.50 K NIST
Tboil 320.55 ± 0.50 K NIST
Tboil 324.15 ± 3.00 K NIST
Tboil 321.08 ± 0.50 K NIST
Tboil 321.65 ± 1.00 K NIST
Tboil 323.44 ± 0.10 K NIST
Tboil 323.44 ± 0.10 K NIST
Tboil 321.85 ± 0.50 K NIST
Tboil 321.15 ± 0.30 K NIST
Tboil 321.20 ± 0.30 K NIST
Tboil 319.40 ± 0.40 K NIST
Tboil 322.65 ± 2.00 K NIST
Tboil 321.25 ± 0.50 K NIST
Tboil 322.65 ± 1.00 K NIST
Tboil 323.15 ± 2.00 K NIST
Tboil 321.15 ± 0.50 K NIST
Tboil 321.15 ± 2.00 K NIST
Tboil 320.85 ± 2.00 K NIST
Tboil 322.15 ± 1.00 K NIST
Tboil 322.65 ± 2.00 K NIST
Tboil Outlier 341.15 K NIST
Tboil 321.15 ± 3.00 K NIST
Tboil 322.15 ± 2.00 K NIST
Tboil 321.40 ± 2.00 K NIST
Tboil Outlier 341.65 K NIST
Tboil 322.15 ± 2.00 K NIST
Tboil 323.15 ± 2.00 K NIST
Tboil 321.15 ± 2.00 K NIST
Tboil 321.20 ± 0.50 K NIST
Tboil 321.70 ± 2.00 K NIST
Tboil 321.70 ± 2.00 K NIST
Tboil 321.92 ± 1.00 K NIST
Tboil 323.45 ± 2.00 K NIST
Tc [496.20; 805.75] K Show Hide
Tc 504.40 ± 0.70 K NIST
Tc 509.10 ± 4.00 K NIST
Tc 504.40 ± 1.20 K NIST
Tc 496.20 K NIST
Tc Outlier 805.75 K NIST
Tc 532.60 ± 2.00 K NIST
Tfus [170.20; 193.15] K Show Hide
Tfus 193.15 K NIST
Tfus 170.20 ± 1.00 K NIST
Tfus 193.00 ± 8.00 K NIST
Tfus 193.00 ± 2.00 K NIST
Tfus 171.00 ± 4.00 K NIST
Tfus 171.60 ± 0.60 K NIST
Tfus 193.10 ± 2.00 K NIST
Tfus 192.00 ± 5.00 K NIST
Ttriple 171.32 ± 0.01 K NIST
Ttriple 171.15 ± 0.10 K NIST
Ttriple 171.32 ± 0.05 K NIST
Vc 0.221 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 84.53 J/mol×K 325.04 NIST
Cp,gas 88.39 J/mol×K 350.07 NIST
Cp,gas 92.22 J/mol×K 374.5 NIST
Cp,liquid 134.70 J/mol×K 298.0 NIST
Cp,liquid 159.10 J/mol×K 298.15 NIST
η 0.0002507 Pa×s 316.7 Joback Calculated Property
ΔfusH 8.59 kJ/mol 171.3 NIST
ΔfusH 8.59 kJ/mol 171.3 NIST
ΔfusH 8.59 kJ/mol 171.32 NIST
ΔvapH [28.30; 31.90] kJ/mol [286.00; 321.10] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 30.30 kJ/mol 286.0 NIST
ΔvapH 31.90 kJ/mol 290.0 NIST
ΔvapH 29.40 kJ/mol 303.0 NIST
ΔvapH 30.50 kJ/mol 303.5 NIST
ΔvapH 30.30 kJ/mol 306.0 NIST
ΔvapH 31.50 kJ/mol 318.0 NIST
ΔvapH 28.30 kJ/mol 321.0 NIST
ΔvapH 28.32 kJ/mol 321.08 NIST
ΔvapH 28.31 kJ/mol 321.1 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 1
-CH3 1
O=CH- (aldehyde) 1

Similar Compounds

Propanoyl. Propanedial. Butanal. Propanal, 2-methyl-. Acetone. CH2COCH3. Propanal, 2-oxo-. 2-Butanone. Acetaldehyde. CH2CHO. 3-Mercaptopropanal. Propanal, 2,2-dimethyl-. Pentanal. 3-Mercaptopropanal. 2-Propenal, 2-methyl-.

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