Chemical Properties of 3-Pentanone, 2-methyl- (CAS 565-69-5)

3-Pentanone, 2-methyl-

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InChI
InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChI Key
HYTRYEXINDDXJK-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCC(=O)C(C)C
Molecular Weight1
100.16
CAS
565-69-5
Other Names
  • 2-Methyl-3-pentanal
  • 2-Methyl-3-pentanone
  • 2-Methylpentan-3-one
  • 4-Methyl-3-pentanone
  • Ethyl isopropyl ketone
  • Isopropyl ethyl ketone
  • iso-C3H7COC2H5
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3750.16 ± 0.88 kJ/mol NIST
Δf -131.72 kJ/mol Joback Calculated Property
Δfgas -286.10 ± 0.90 kJ/mol NIST
Δfliquid -325.90 ± 0.90 kJ/mol NIST
Δfus 9.37 kJ/mol Joback Calculated Property
Δvap 40.50 kJ/mol NIST
Δvap 39.79 ± 0.22 kJ/mol NIST
Δvap 39.80 ± 0.20 kJ/mol NIST
IE 9.10 ± 0.01 eV NIST
IE 9.10 ± 0.01 eV NIST
logPoct/wat 1.62 Crippen Calculated Property
Pc 3368.44 kPa Joback Calculated Property
Tboil [368.15; 390.65] K Show Hide
Tboil 386.20 K NIST
Tboil 386.00 ± 3.00 K NIST
Tboil 384.15 ± 3.00 K NIST
Tboil 386.15 ± 2.00 K NIST
Tboil 387.25 ± 1.00 K NIST
Tboil 387.15 ± 1.00 K NIST
Tboil 388.15 ± 1.00 K NIST
Tboil 388.20 ± 1.00 K NIST
Tboil 390.15 ± 1.00 K NIST
Tboil 387.70 ± 1.00 K NIST
Tboil 386.15 ± 2.00 K NIST
Tboil 386.00 ± 0.50 K NIST
Tboil 387.65 ± 1.00 K NIST
Tboil 388.15 ± 1.00 K NIST
Tboil 389.00 ± 2.00 K NIST
Tboil 387.90 ± 1.00 K NIST
Tboil 387.15 ± 2.00 K NIST
Tboil 390.15 ± 3.00 K NIST
Tboil 390.65 ± 5.00 K NIST
Tboil Outlier 368.15 K NIST
Tboil 386.90 ± 1.00 K NIST
Tc 571.85 K Joback Calculated Property
Tfus 192.31 K Joback Calculated Property
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 177.67 J/mol×K 390.11 Joback Calculated Property
η 0.00 Pa×s 390.11 Joback Calculated Property
ΔvapH 41.00 kJ/mol 333.5 NIST
ΔvapH 43.40 kJ/mol 343.5 NIST
ΔvapH 36.20 kJ/mol 413.5 NIST

Molecular Descriptors

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

Similar Compounds

3-Pentanone, 2,4-dimethyl-. 2-Butanone, 3-methyl-. 3-Hexanone, 2-methyl-. 3-Pentanone, 2,2-dimethyl-. 2-Pentanone, 3-methyl-. 3-Hexanone, 4-methyl-. 3-Pentanone, 2,2,4,4-tetramethyl-. 2,2,4-Trimethyl-3-pentanone. 3-Hexanone, 2,5-dimethyl-. 3-Pentanone. 3-Heptanone, 2-methyl-. 2-Pentanone, 3-ethyl-. 2,3-Pentanedione, 4-methyl-. 2-Hexanone, 3-methyl-. 2-Butanone, 3,3-dimethyl-.

Find more compounds similar to 3-Pentanone, 2-methyl-.

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