Chemical Properties of Pentanal (CAS 110-62-3)

Pentanal

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InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChI Key
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Formula
C5H10O
SMILES
CCCCC=O
Molecular Weight1
86.13
CAS
110-62-3
Other Names
  • 1-Pentanal
  • Amyl aldehyde
  • Butyl formal
  • NSC 35404
  • Pentan-1-al
  • Pentylaldehyde
  • UN 2058
  • Valeral
  • Valeraldehyde
  • Valerianic aldehyde
  • Valeric acid aldehyde
  • Valeric aldehyde
  • Valeryl aldehyde
  • n-C4H9CHO
  • n-Pentanal
  • n-Valeraldehyde
  • n-Valeric aldehyde
  • pentanal (valeraldehyde)
  • valderaldehyde
Sources

Physical Properties

Property Value Unit Source
PAff 796.60 kJ/mol NIST
BasG 764.80 kJ/mol NIST
Δf -108.30 kJ/mol Joback Calculated Property
Δfgas -232.11 kJ/mol Joback Calculated Property
Δfus 10.99 kJ/mol Joback Calculated Property
Δvap 38.60 kJ/mol NIST
Δvap 38.30 kJ/mol NIST
Δvap 38.10 ± 0.10 kJ/mol NIST
IE [9.65; 9.90] eV Show Hide
IE 9.74 ± 0.04 eV NIST
IE 9.72 eV NIST
IE 9.89 ± 0.12 eV NIST
IE 9.90 eV NIST
IE 9.65 ± 0.02 eV NIST
IE 9.72 ± 0.06 eV NIST
IE 9.75 ± 0.01 eV NIST
IE 9.77 ± 0.01 eV NIST
IE 9.82 ± 0.05 eV NIST
IE 9.82 eV NIST
logPoct/wat 1.375 Crippen Calculated Property
Pc 3970.00 ± 100.00 kPa NIST
gas 379.90 ± 3.30 J/mol×K NIST
liquid 273.59 J/mol×K NIST
liquid 273.60 J/mol×K NIST
Tboil [373.65; 376.90] K Show Hide
Tboil 376.20 K NIST
Tboil 375.83 ± 0.02 K NIST
Tboil 376.15 K NIST
Tboil 376.15 ± 2.00 K NIST
Tboil 375.65 ± 2.00 K NIST
Tboil 375.15 ± 2.00 K NIST
Tboil 376.00 ± 4.00 K NIST
Tboil 376.65 ± 1.50 K NIST
Tboil 375.65 ± 2.00 K NIST
Tboil 375.35 ± 1.50 K NIST
Tboil 374.15 ± 3.00 K NIST
Tboil 375.65 ± 3.00 K NIST
Tboil 375.25 ± 2.00 K NIST
Tboil Outlier 373.65 ± 3.00 K NIST
Tboil 375.90 ± 2.00 K NIST
Tboil 376.90 ± 1.00 K NIST
Tboil 376.15 ± 2.00 K NIST
Tboil 374.65 ± 3.00 K NIST
Tboil 376.55 ± 3.00 K NIST
Tboil 375.15 ± 3.00 K NIST
Tc 568.30 ± 2.00 K NIST
Tc 566.10 ± 0.80 K NIST
Tfus [181.70; 191.59] K Show Hide
Tfus 191.59 K NIST
Tfus 191.59 ± 0.10 K NIST
Tfus 182.15 K NIST
Tfus 189.80 ± 1.00 K NIST
Tfus 189.80 ± 0.60 K NIST
Tfus 181.70 ± 3.00 K NIST
Vc 0.333 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 144.57 J/mol×K 362.46 Joback Calculated Property
Cp,liquid 171.50 J/mol×K 298.0 NIST
Cp,liquid 174.39 J/mol×K 298.15 NIST
η 0.0003069 Pa×s 362.46 Joback Calculated Property
ΔfusH 15.00 kJ/mol 151.6 NIST
ΔvapH 37.30 kJ/mol 341.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 3
-CH3 1
O=CH- (aldehyde) 1

Similar Compounds

Glutaraldehyde. Hexanal. Butanal. Heptanal. Pentanal, 4-methyl-. 2-Hexanone. 2-Pentanone. Tridecanal. Octanal. Pentanal, 3-methyl-. Triacontanal. Dodecanal. Henicosanal. Tetradecanal. Heptacosanal.

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