Chemical Properties of 4-Hepten-3-one, 5-methyl- (CAS 1447-26-3)

4-Hepten-3-one, 5-methyl-

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InChI
InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h6H,4-5H2,1-3H3/b7-6+
InChI Key
XJEHTASYOBAEDB-VOTSOKGWSA-N
Formula
C8H14O
SMILES
CCC(=O)C=C(C)CC
Molecular Weight1
126.20
CAS
1447-26-3
Other Names
  • 5-Methyl-4-hepten-3-one
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Physical Properties

Property Value Unit Source
Δf -40.77 kJ/mol Joback Calculated Property
Δfgas -213.60 kJ/mol Joback Calculated Property
Δfus 16.97 kJ/mol Joback Calculated Property
Δvap 40.19 kJ/mol Joback Calculated Property
log10WS -2.30 Crippen Calculated Property
logPoct/wat 2.322 Crippen Calculated Property
McVol 120.850 ml/mol McGowan Calculated Property
Pc 2871.95 kPa Joback Calculated Property
Inp 1007.00 NIST
I 1660.00 NIST
Tboil [438.00; 439.70] K Show Hide
Tboil 439.70 K NIST
Tboil 438.00 ± 3.00 K NIST
Tc 627.87 K Joback Calculated Property
Tfus 210.81 K Joback Calculated Property
Vc 0.470 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [239.66; 305.60] J/mol×K [440.35; 627.87] Show Hide
Cp,gas 239.66 J/mol×K 440.35 Joback Calculated Property
Cp,gas 252.05 J/mol×K 471.60 Joback Calculated Property
Cp,gas 263.86 J/mol×K 502.86 Joback Calculated Property
Cp,gas 275.09 J/mol×K 534.11 Joback Calculated Property
Cp,gas 285.78 J/mol×K 565.36 Joback Calculated Property
Cp,gas 295.94 J/mol×K 596.61 Joback Calculated Property
Cp,gas 305.60 J/mol×K 627.87 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 339.20 K 2.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [326.72; 467.45] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47129e+01
Coefficient B-3.79887e+03
Coefficient C-6.33730e+01
Temperature range, min.326.72
Temperature range, max.467.45
Pvap 1.33 kPa 326.72 Calculated Property
Pvap 2.99 kPa 342.36 Calculated Property
Pvap 6.16 kPa 357.99 Calculated Property
Pvap 11.81 kPa 373.63 Calculated Property
Pvap 21.25 kPa 389.27 Calculated Property
Pvap 36.23 kPa 404.90 Calculated Property
Pvap 58.96 kPa 420.54 Calculated Property
Pvap 92.10 kPa 436.18 Calculated Property
Pvap 138.81 kPa 451.81 Calculated Property
Pvap 202.67 kPa 467.45 Calculated Property

Similar Compounds

4-Methyl-3-hexen-2-one. 4-Hexen-3-one, 5-methyl-. 2-Cyclopenten-1-one, 3-methyl-. 3-Hepten-2-one, 4-methyl-. 4-methylhept-3-en-2-one. 2-Cyclopenten-1-one, 3-ethyl-. 3-Hepten-2-one, 3-methyl-. 4-Hepten-3-one, 2,5,6-trimethyl-. 2-Cyclohexen-1-one, 3-methyl-. 4-Hepten-3-one, 4-methyl-. 2-Hepten-4-one, 2-methyl-. 4-Octen-3-one. (E)-4-Octen-3-one. (E)-oct-4-en-3-one. 2-Hexenal, 2-ethyl-.

Find more compounds similar to 4-Hepten-3-one, 5-methyl-.

Sources

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