Chemical Properties of 3-Methylhexanal (CAS 19269-28-4)

3-Methylhexanal

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InChI
InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3
InChI Key
ZSJUABCTGCNBPF-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCC(C)CC=O
Molecular Weight1
114.19
CAS
19269-28-4
Other Names
  • 3-Methylhexanal
Sources

Physical Properties

Property Value Unit Source
Δf -93.90 kJ/mol Joback Calculated Property
Δfgas -278.67 kJ/mol Joback Calculated Property
Δfus 12.65 kJ/mol Joback Calculated Property
Δvap 37.51 kJ/mol Joback Calculated Property
logPoct/wat 2.01 Crippen Calculated Property
Pc 3059.17 kPa Joback Calculated Property
Tboil 407.78 K Joback Calculated Property
Tc 583.42 K Joback Calculated Property
Tfus 195.65 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 216.97 J/mol×K 407.78 Joback Calculated Property
Cp,liquid 245.94 J/mol×K 323.15 NIST
η 0.00 Pa×s 407.78 Joback Calculated Property
ΔvapH 42.80 kJ/mol 365.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
-CH3 2
O=CH- (aldehyde) 1

Similar Compounds

Hexanal, 4-methyl-. Tetrahydrocitral. Farnasal. Pentanal, 3-methyl-. Hexanal, 3,3-dimethyl-. Hexanal, 2-methyl-. 2-Hexanone, 4-methyl-. Hexanal, 2-ethyl-. 2-Heptanone, 4-methyl-. Cyclopentanecarboxaldehyde. Hexanal, 3,5,5-trimethyl-. 3,4-Dimethylpentanal. 2-propyl hexanal. 4-Methyl-nonanal. Hexanal, 5-methyl-.

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