Chemical Properties of Heptanal (CAS 111-71-7)

Heptanal

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InChI
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
InChI Key
FXHGMKSSBGDXIY-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCCCCC=O
Molecular Weight1
114.19
CAS
111-71-7
Other Names
  • 1-Heptaldehyde
  • 1-Heptanal
  • Enanthal
  • Enanthaldehyde
  • Enanthic aldehyde
  • Enanthole
  • Heptaldehyde
  • Heptan-1-al
  • Heptanaldehyde
  • Heptyl aldehyde
  • NSC 2190
  • Oenanthal
  • Oenanthaldehyde
  • Oenanthic aldehyde
  • Oenanthol
  • n-C6H13CHO
  • n-Heptaldehyde
  • n-Heptanal
  • n-Heptylaldehyde
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4444.00 ± 4.00 kJ/mol NIST
Δf -91.46 kJ/mol Joback Calculated Property
Δfgas -264.00 ± 4.20 kJ/mol NIST
Δfliquid -312.00 ± 4.00 kJ/mol NIST
Δfus 16.18 kJ/mol Joback Calculated Property
Δvap [47.30; 48.70] kJ/mol Show Hide
Δvap 48.70 kJ/mol NIST
Δvap 47.30 ± 0.10 kJ/mol NIST
Δvap 48.00 ± 1.00 kJ/mol NIST
Δvap 48.00 kJ/mol NIST
Δvap 48.00 ± 1.30 kJ/mol NIST
IE 9.65 ± 0.02 eV NIST
logPoct/wat 2.16 Crippen Calculated Property
Pc 3160.00 ± 25.00 kPa NIST
gas 461.50 ± 4.20 J/mol×K NIST
liquid 335.40 J/mol×K NIST
liquid 348.50 J/mol×K NIST
Tboil [332.80; 428.65] K Show Hide
Tboil Outlier 332.80 K NIST
Tboil 426.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 424.65 ± 3.00 K NIST
Tboil 425.15 ± 2.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 425.80 ± 0.20 K NIST
Tboil 426.00 ± 2.00 K NIST
Tboil 425.15 ± 2.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 427.65 ± 2.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 425.15 ± 1.00 K NIST
Tboil 426.00 ± 0.30 K NIST
Tboil 427.65 ± 2.00 K NIST
Tboil 427.15 ± 3.00 K NIST
Tboil 427.15 ± 3.00 K NIST
Tboil 428.65 ± 3.00 K NIST
Tboil 428.15 ± 3.00 K NIST
Tboil 428.15 ± 2.00 K NIST
Tboil 425.85 ± 2.00 K NIST
Tboil 428.10 ± 1.00 K NIST
Tboil 425.75 ± 3.00 K NIST
Tboil 427.15 ± 3.00 K NIST
Tboil 424.65 ± 3.00 K NIST
Tc 616.70 ± 0.60 K NIST
Tc 161.80 ± 0.40 K NIST
Tfus [216.80; 231.00] K Show Hide
Tfus 229.44 ± 0.50 K NIST
Tfus 229.90 ± 1.00 K NIST
Tfus 216.80 ± 2.00 K NIST
Tfus 228.20 ± 2.00 K NIST
Tfus 231.00 ± 5.00 K NIST
Ttriple 229.20 ± 0.02 K NIST
Ttriple 229.80 ± 0.20 K NIST
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 216.98 J/mol×K 408.22 Joback Calculated Property
Cp,liquid 204.60 J/mol×K 298.0 NIST
Cp,liquid 230.78 J/mol×K 298.15 NIST
Cp,liquid 250.33 J/mol×K 298.15 NIST
η 0.00 Pa×s 408.22 Joback Calculated Property
ΔfusH 22.89 kJ/mol 229.3 NIST
ΔfusH 22.89 kJ/mol 229.3 NIST
ΔfusH 23.59 kJ/mol 229.8 NIST
ΔvapH 62.00 kJ/mol 356.5 NIST
ΔfusS 102.63 J/mol×K 229.8 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 5
-CH3 1
O=CH- (aldehyde) 1

Similar Compounds

Henicosanal. Octacosanal. Pentadecanal-. Icosanal. TETRACOSANAL. Hexadecanal. Tricosanal. Hexacosanal. Triacontanal. Heptacosanal. Octanal. Decanal. Tridecanal. n-Heptadecanal. Stearaldehyde.

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