Chemical Properties of 3-Heptanone, 2-methyl- (CAS 13019-20-0)

3-Heptanone, 2-methyl-

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InChI
InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3
InChI Key
XYYMFUCZDNNGFS-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCCCC(=O)C(C)C
Molecular Weight1
128.21
CAS
13019-20-0
Other Names
  • 2-Methyl-3-heptanone
  • 2-Methylheptanone-(3)
  • 2-methylheptan-3-one
Sources

Physical Properties

Property Value Unit Source
Δf -114.88 kJ/mol Joback Calculated Property
Δfgas -326.31 kJ/mol Joback Calculated Property
Δfus 14.55 kJ/mol Joback Calculated Property
Δvap 39.76 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 2726.86 kPa Joback Calculated Property
Tboil [429.00; 433.00] K Show Hide
Tboil 431.20 K NIST
Tboil 429.00 ± 5.00 K NIST
Tboil 432.00 ± 3.00 K NIST
Tboil 433.00 ± 3.00 K NIST
Tc 615.20 K Joback Calculated Property
Tfus 214.85 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 255.56 J/mol×K 435.87 Joback Calculated Property
η 0.00 Pa×s 435.87 Joback Calculated Property
ΔvapH 43.50 kJ/mol 389.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
>C=O (nonring) 1
-CH3 3

Similar Compounds

3-Heptanone, 2,6-dimethyl-. 3-Octanone, 2-methyl-. 3-Decanone, 2-methyl-. 3-Nonanone, 2-methyl-. 3,8-Decanedione, 2,9-dimethyl-. 3-Hexanone, 2-methyl-. 3-Methyl-4-octanone. 2,2-Dimethyl-3-heptanone. 4-Methyl-5-nonanone. 3,5-Heptanedione, 2,6-dimethyl-. 3-Heptanone, 6-methyl-. 3-Methyl-4-nonanone. 5-Nonanone, 2,8-dimethyl-. 4-Octanone, 7-methyl-. 2-Methyl-5-nonanone.

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