Chemical Properties of 3-Heptanone, 5-methyl- (CAS 541-85-5)

3-Heptanone, 5-methyl-

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InChI
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChI Key
PSBKJPTZCVYXSD-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCC(=O)CC(C)CC
Molecular Weight1
128.21
CAS
541-85-5
Other Names
  • 3-Methyl-5-heptanone
  • 5-Methyl-3-heptanone
  • 5-Methylheptan-3-one
  • 5-Methylheptanone-(3)
  • Ethyl 2-methylbutyl ketone
  • Ethyl sec-amyl ketone
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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
log10WS -2.21 Crippen Calculated Property
logPoct/wat 2.402 Crippen Calculated Property
McVol 125.150 ml/mol McGowan Calculated Property
Pc 2726.86 kPa Joback Calculated Property
Inp [149.25; 962.00]   Show Hide
Inp 926.00 NIST
Inp 922.00 NIST
Inp 923.00 NIST
Inp 924.00 NIST
Inp 943.00 NIST
Inp 939.00 NIST
Inp 962.00 NIST
Inp 922.00 NIST
Inp 931.00 NIST
Inp 944.00 NIST
Inp 944.00 NIST
Inp 944.00 NIST
Inp 944.00 NIST
Inp 952.00 NIST
Inp 960.00 NIST
Inp 954.00 NIST
Inp 922.00 NIST
Inp 922.00 NIST
Inp Outlier 149.25 NIST
Inp 926.00 NIST
Inp 922.00 NIST
Inp 962.00 NIST
Inp Outlier 149.25 NIST
I [1213.00; 1267.00]   Show Hide
I 1219.50 NIST
I 1213.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1265.00 NIST
I 1265.00 NIST
I 1265.00 NIST
I 1266.00 NIST
I 1267.00 NIST
I 1219.50 NIST
I 1266.00 NIST
Tboil [431.00; 435.00] K Show Hide
Tboil 432.70 K NIST
Tboil 431.00 ± 2.00 K NIST
Tboil 435.00 ± 3.00 K NIST
Tboil 431.00 ± 3.00 K NIST
Tc 615.20 K Joback Calculated Property
Tfus 214.85 K Joback Calculated Property
Vc 0.483 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [255.56; 325.12] J/mol×K [435.87; 615.20] Show Hide
Cp,gas 255.56 J/mol×K 435.87 Joback Calculated Property
Cp,gas 268.41 J/mol×K 465.76 Joback Calculated Property
Cp,gas 280.75 J/mol×K 495.65 Joback Calculated Property
Cp,gas 292.58 J/mol×K 525.54 Joback Calculated Property
Cp,gas 303.91 J/mol×K 555.42 Joback Calculated Property
Cp,gas 314.75 J/mol×K 585.31 Joback Calculated Property
Cp,gas 325.12 J/mol×K 615.20 Joback Calculated Property
η [0.0002821; 0.0067893] Pa×s [214.85; 435.87] Show Hide
η 0.0067893 Pa×s 214.85 Joback Calculated Property
η 0.0027108 Pa×s 251.69 Joback Calculated Property
η 0.0013683 Pa×s 288.52 Joback Calculated Property
η 0.0008063 Pa×s 325.36 Joback Calculated Property
η 0.0005291 Pa×s 362.20 Joback Calculated Property
η 0.0003753 Pa×s 399.03 Joback Calculated Property
η 0.0002821 Pa×s 435.87 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [322.31; 459.65] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48779e+01
Coefficient B-3.81556e+03
Coefficient C-6.07980e+01
Temperature range, min.322.31
Temperature range, max.459.65
Pvap 1.33 kPa 322.31 Calculated Property
Pvap 2.98 kPa 337.57 Calculated Property
Pvap 6.12 kPa 352.83 Calculated Property
Pvap 11.72 kPa 368.09 Calculated Property
Pvap 21.09 kPa 383.35 Calculated Property
Pvap 35.98 kPa 398.61 Calculated Property
Pvap 58.63 kPa 413.87 Calculated Property
Pvap 91.73 kPa 429.13 Calculated Property
Pvap 138.52 kPa 444.39 Calculated Property
Pvap 202.67 kPa 459.65 Calculated Property

Similar Compounds

Muscone. Cyclohexanone, 3-methyl-, (R)-. Cyclohexanone, 3-methyl-. Cyclohexanone, 3-methyl-, (S)-. Cyclohexanone, 3-ethyl-. Cyclohexanone, 3-butyl-. 2-Hexanone, 4-methyl-. 2-Heptanone, 4-methyl-. 4-Nonanone, 2,6,8-trimethyl-. 2,7-Dimethyloctan-4-one. trans-3,5-Dimethylcyclohexanone. Cyclohexanone, 3,5-dimethyl-, cis-. Cyclohexanone, 3,5-dimethyl-, cis-. 3,4-Dimethyl cyclohexanone. 3-Ethylcyclopentanone.

Find more compounds similar to 3-Heptanone, 5-methyl-.

Sources

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