Chemical Properties of 3-Heptanone (CAS 106-35-4)

3-Heptanone

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InChI
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChI Key
NGAZZOYFWWSOGK-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CCCCC(=O)CC
Molecular Weight1
114.19
CAS
106-35-4
Other Names
  • 3-Oxoheptane
  • Aethylbutylketon
  • Butyl ethyl ketone
  • ETHYLBUTYLCETONE
  • Eptan-3-one
  • Ethyl butyl ketone
  • Ethyl n-butyl ketone
  • Ethylbutylketon
  • Etilbutilchetone
  • HEPTAN-3-ONE
  • Heptan-3-on
  • NSC 8448
  • n-Butyl ethyl ketone
  • n-C4H9COC2H5
  • n-Heptan-3-one

Physical Properties

Property Value Unit Source
Δf -120.86 kJ/mol Joback Calculated Property
Δfgas -300.39 kJ/mol Joback Calculated Property
Δfus 15.49 kJ/mol Joback Calculated Property
Δvap 37.92 kJ/mol Joback Calculated Property
IE [9.02; 9.26] eV Show Hide
IE 9.15 ± 0.09 eV NIST
IE 9.18 eV NIST
IE 9.26 eV NIST
IE 9.02 ± 0.02 eV NIST
IE 9.15 ± 0.02 eV NIST
log10WS -2.03 Crippen Calculated Property
logPoct/wat 2.156 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 1 KDB
Pc 2995.87 kPa Joback Calculated Property
ρc 263.77 ± 3.43 kg/m3 NIST
Inp [847.00; 899.00]   Show Hide
Inp 865.80 NIST
Inp 867.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 867.00 NIST
Inp 866.20 NIST
Inp 866.50 NIST
Inp 887.50 NIST
Inp 887.40 NIST
Inp 852.00 NIST
Inp 863.00 NIST
Inp 847.00 NIST
Inp 847.00 NIST
Inp 852.00 NIST
Inp 887.00 NIST
Inp 885.00 NIST
Inp 884.10 NIST
Inp 895.00 NIST
Inp 894.00 NIST
Inp 859.00 NIST
Inp 888.00 NIST
Inp 896.00 NIST
Inp 865.00 NIST
Inp 886.00 NIST
Inp 889.00 NIST
Inp 871.00 NIST
Inp 886.00 NIST
Inp 886.00 NIST
Inp 887.00 NIST
Inp 869.42 NIST
Inp 888.00 NIST
Inp 865.00 NIST
Inp 890.00 NIST
Inp 869.00 NIST
Inp 860.00 NIST
Inp 862.00 NIST
Inp 890.00 NIST
Inp 847.00 NIST
Inp 866.00 NIST
Inp 888.00 NIST
Inp 868.00 NIST
Inp 860.00 NIST
Inp 889.00 NIST
Inp 889.00 NIST
Inp 865.00 NIST
Inp 888.00 NIST
Inp 869.00 NIST
Inp 884.00 NIST
Inp 865.00 NIST
Inp 880.00 NIST
Inp 899.00 NIST
Inp 866.00 NIST
Inp 869.00 NIST
Inp 861.00 NIST
Inp 869.00 NIST
Inp 866.00 NIST
Inp 887.00 NIST
Inp 886.00 NIST
Inp 869.00 NIST
Inp 894.00 NIST
Inp 865.00 NIST
Inp 890.00 NIST
Inp 860.00 NIST
Inp 866.00 NIST
Inp 865.80 NIST
Inp 866.20 NIST
Inp 863.00 NIST
I [1124.00; 1185.00]   Show Hide
I 1185.00 NIST
I 1167.20 NIST
I 1173.20 NIST
I 1179.90 NIST
I 1141.00 NIST
I 1148.00 NIST
I 1141.00 NIST
I 1163.00 NIST
I 1134.00 NIST
I 1171.00 NIST
I 1160.00 NIST
I 1131.00 NIST
I 1161.00 NIST
I 1163.00 NIST
I 1157.00 NIST
I 1155.00 NIST
I 1162.00 NIST
I 1167.00 NIST
I 1155.00 NIST
I Outlier 1124.00 NIST
I 1141.00 NIST
I 1171.00 NIST
I 1167.00 NIST
I 1161.00 NIST
I 1160.00 NIST
I 1185.00 NIST
Tboil [414.15; 422.65] K Show Hide
Tboil 420.70 K NIST
Tboil 420.45 K NIST
Tboil 418.65 ± 3.00 K NIST
Tboil 420.80 ± 0.60 K NIST
Tboil 420.95 ± 1.00 K NIST
Tboil 420.75 ± 0.50 K NIST
Tboil 420.55 ± 0.50 K NIST
Tboil 418.65 ± 3.00 K NIST
Tboil 418.90 ± 3.00 K NIST
Tboil 420.15 ± 3.00 K NIST
Tboil 416.65 ± 3.00 K NIST
Tboil Outlier 414.15 ± 2.00 K NIST
Tboil 420.20 ± 0.50 K NIST
Tboil 420.65 ± 4.00 K NIST
Tboil 422.65 ± 5.00 K NIST
Tc 606.60 ± 0.25 K NIST
Tfus 420.45 K NIST
Vc 0.433 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [215.46; 277.17] J/mol×K [413.43; 590.00] Show Hide
Cp,gas 215.46 J/mol×K 413.43 Joback Calculated Property
Cp,gas 226.81 J/mol×K 442.86 Joback Calculated Property
Cp,gas 237.73 J/mol×K 472.29 Joback Calculated Property
Cp,gas 248.21 J/mol×K 501.71 Joback Calculated Property
Cp,gas 258.27 J/mol×K 531.14 Joback Calculated Property
Cp,gas 267.92 J/mol×K 560.57 Joback Calculated Property
Cp,gas 277.17 J/mol×K 590.00 Joback Calculated Property
η [0.0003013; 0.0041439] Pa×s [218.58; 413.43] Show Hide
η 0.0041439 Pa×s 218.58 Joback Calculated Property
η 0.0020181 Pa×s 251.05 Joback Calculated Property
η 0.0011589 Pa×s 283.53 Joback Calculated Property
η 0.0007459 Pa×s 316.00 Joback Calculated Property
η 0.0005212 Pa×s 348.48 Joback Calculated Property
η 0.0003871 Pa×s 380.95 Joback Calculated Property
η 0.0003013 Pa×s 413.43 Joback Calculated Property
ΔfusH 17.53 kJ/mol 236.00 NIST
Pvap [11.05; 90.50] kPa [354.82; 416.50] Show Hide
Pvap 11.05 ± 0.36 kPa 354.82 Vapor L...
Pvap 12.93 ± 0.36 kPa 358.58 Vapor L...
Pvap 15.51 ± 0.36 kPa 363.03 Vapor L...
Pvap 18.75 ± 0.36 kPa 367.95 Vapor L...
Pvap 23.27 ± 0.36 kPa 373.60 Vapor L...
Pvap 27.11 ± 0.36 kPa 377.99 Vapor L...
Pvap 32.58 ± 0.36 kPa 383.09 Vapor L...
Pvap 40.00 ± 0.36 kPa 388.11 Vapor L...
Pvap 40.00 ± 0.36 kPa 388.36 Vapor L...
Pvap 39.13 ± 0.36 kPa 388.62 Vapor L...
Pvap 40.00 ± 0.36 kPa 388.67 Vapor L...
Pvap 45.12 ± 0.36 kPa 393.02 Vapor L...
Pvap 54.02 ± 0.36 kPa 398.84 Vapor L...
Pvap 64.03 ± 0.36 kPa 404.44 Vapor L...
Pvap 74.50 ± 0.36 kPa 409.63 Vapor L...
Pvap 82.00 ± 0.36 kPa 412.95 Vapor L...
Pvap 90.50 ± 0.36 kPa 416.50 Vapor L...

Similar Compounds

5-Nonanone. 3-Octanone. 4-Octanone. 3-Eicosanone. 3-Heptadecanone. 3-Pentadecanone. 3-Undecanone. 3-Nonanone. 3-Decanone. 3-Tridecanone. 3-Hexadecanone. 3-Tetradecanone. 3-Dodecanone. 3-Octadecanone. 5-Decanone.

Find more compounds similar to 3-Heptanone.

Sources

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