Chemical Properties of 3-Hexanone (CAS 589-38-8)

3-Hexanone

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InChI
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChI Key
PFCHFHIRKBAQGU-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCCC(=O)CC
Molecular Weight1
100.16
CAS
589-38-8
Other Names
  • Aethylpropylketon
  • Ethyl n-propyl ketone
  • Ethyl propyl ketone
  • Hexan-3-one
  • Hexanone-(3)
  • n-C3H7COC2H5

Physical Properties

Property Value Unit Source
ω 0.3780 KDB
PAff 843.20 kJ/mol NIST
BasG 811.30 kJ/mol NIST
Δcliquid -3755.90 ± 0.79 kJ/mol NIST
Δf -129.28 kJ/mol Joback Calculated Property
Δfgas -278.25 ± 0.89 kJ/mol NIST
Δfliquid -320.13 ± 0.86 kJ/mol NIST
Δfus 12.89 kJ/mol Joback Calculated Property
Δvap 35.70 kJ/mol Joback Calculated Property
IE [9.12; 9.30] eV Show Hide
IE 9.30 eV NIST
IE 9.12 ± 0.02 eV NIST
log10WS [-0.83; -0.83]   Show Hide
log10WS -0.83 Aq. Sol...
log10WS -0.83 Estimat...
logPoct/wat 1.766 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
Pc [3320.00; 3320.00] kPa Show Hide
Pc 3320.00 kPa KDB
Pc 3320.00 ± 20.00 kPa NIST
ρc 265.42 ± 3.00 kg/m3 NIST
Inp [746.00; 802.00]   Show Hide
Inp 764.80 NIST
Inp 765.97 NIST
Inp 764.11 NIST
Inp 764.10 NIST
Inp 764.37 NIST
Inp 765.00 NIST
Inp 766.00 NIST
Inp 764.00 NIST
Inp 764.00 NIST
Inp 765.00 NIST
Inp 768.00 NIST
Inp 750.00 NIST
Inp 761.00 NIST
Inp 746.00 NIST
Inp 746.00 NIST
Inp 751.00 NIST
Inp 757.40 NIST
Inp 783.30 NIST
Inp 756.00 NIST
Inp 756.00 NIST
Inp 784.00 NIST
Inp 785.50 NIST
Inp 791.00 NIST
Inp 790.00 NIST
Inp 795.00 NIST
Inp Outlier 802.00 NIST
Inp 764.00 NIST
Inp 757.00 NIST
Inp 771.00 NIST
Inp 760.00 NIST
Inp 786.00 NIST
Inp 783.00 NIST
Inp 783.00 NIST
Inp 795.00 NIST
Inp 771.00 NIST
Inp 784.00 NIST
Inp 761.00 NIST
Inp 768.00 NIST
Inp 788.00 NIST
Inp 788.00 NIST
Inp 775.00 NIST
Inp 767.00 NIST
Inp 795.00 NIST
Inp 746.00 NIST
Inp 765.00 NIST
Inp 775.00 NIST
Inp 754.00 NIST
Inp 764.00 NIST
Inp 795.00 NIST
Inp 767.00 NIST
Inp 782.00 NIST
Inp 764.00 NIST
Inp 787.00 NIST
Inp 779.00 NIST
Inp 765.00 NIST
Inp 768.00 NIST
Inp 768.00 NIST
Inp 781.00 NIST
Inp 761.00 NIST
Inp 781.00 NIST
I [1023.00; 1084.50]   Show Hide
I Outlier 1084.50 NIST
I 1068.00 NIST
I 1073.30 NIST
I Outlier 1078.90 NIST
I 1050.00 NIST
I 1065.00 NIST
I Outlier 1023.00 NIST
I 1051.00 NIST
I 1053.00 NIST
I 1053.00 NIST
I 1040.00 NIST
I 1037.00 NIST
I 1053.00 NIST
I 1046.00 NIST
I 1053.00 NIST
I 1053.00 NIST
I 1054.00 NIST
I 1056.00 NIST
I 1052.00 NIST
I 1047.00 NIST
I 1058.00 NIST
I 1060.00 NIST
I Outlier 1027.00 NIST
I 1053.00 NIST
I 1053.00 NIST
I 1053.00 NIST
I 1057.00 NIST
I 1042.00 NIST
I 1050.00 NIST
I 1055.00 NIST
I 1058.00 NIST
I 1055.00 NIST
I 1052.00 NIST
I 1049.00 NIST
I 1072.00 NIST
I 1075.00 NIST
I 1068.00 NIST
I 1055.00 NIST
I 1052.00 NIST
I 1042.00 NIST
I 1048.00 NIST
I 1055.00 NIST
gas 409.60 J/mol×K NIST
liquid 305.30 J/mol×K NIST
Tboil 396.60 K KDB
Tc [582.80; 583.20] K Show Hide
Tc 582.82 K KDB
Tc 583.20 ± 0.25 K NIST
Tc 582.80 K NIST
Tc 582.82 ± 0.40 K NIST
Tfus [217.48; 217.90] K Show Hide
Tfus 217.60 K KDB
Tfus 217.90 K Aq. Sol...
Tfus 217.48 ± 0.02 K NIST
Tfus 217.50 ± 0.01 K NIST
Ttriple 217.72 ± 0.05 K NIST
Vc 0.378 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [178.45; 215.81] J/mol×K [383.15; 498.15] Show Hide
Cp,gas 178.45 J/mol×K 383.15 NIST
Cp,gas 185.14 J/mol×K 403.15 NIST
Cp,gas 191.92 J/mol×K 423.15 NIST
Cp,gas 200.41 J/mol×K 448.15 NIST
Cp,gas 208.03 J/mol×K 473.15 NIST
Cp,gas 215.81 J/mol×K 498.15 NIST
Cp,liquid [216.30; 216.90] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 216.90 J/mol×K 298.15 NIST
Cp,liquid 216.30 J/mol×K 298.15 NIST
η [0.0003010; 0.0038104] Pa×s [207.31; 390.55] Show Hide
η 0.0038104 Pa×s 207.31 Joback Calculated Property
η 0.0019023 Pa×s 237.85 Joback Calculated Property
η 0.0011124 Pa×s 268.39 Joback Calculated Property
η 0.0007258 Pa×s 298.93 Joback Calculated Property
η 0.0005126 Pa×s 329.47 Joback Calculated Property
η 0.0003840 Pa×s 360.01 Joback Calculated Property
η 0.0003010 Pa×s 390.55 Joback Calculated Property
ΔfusH [0.68; 13.47] kJ/mol [145.00; 217.70] Show Hide
ΔfusH 0.68 kJ/mol 145.00 NIST
ΔfusH 13.47 kJ/mol 217.70 NIST
ΔfusH 13.47 kJ/mol 217.70 NIST
ΔvapH [35.36; 42.20] kJ/mol [349.00; 547.00] Show Hide
ΔvapH 42.20 kJ/mol 349.00 NIST
ΔvapH 38.40 ± 0.10 kJ/mol 354.00 NIST
ΔvapH 37.00 ± 0.10 kJ/mol 374.00 NIST
ΔvapH 38.80 kJ/mol 377.50 NIST
ΔvapH 38.90 kJ/mol 380.50 NIST
ΔvapH 35.40 ± 0.10 kJ/mol 396.00 NIST
ΔvapH 35.36 kJ/mol 396.70 NIST
ΔvapH 36.50 kJ/mol 462.50 NIST
ΔvapH 35.40 kJ/mol 547.00 NIST
ρl 813.00 kg/m3 295.00 KDB
ΔfusS [4.70; 61.89] J/mol×K [145.00; 217.70] Show Hide
ΔfusS 4.70 J/mol×K 145.00 NIST
ΔfusS 61.89 J/mol×K 217.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [294.82; 420.56] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50365e+01
Coefficient B-3.58989e+03
Coefficient C-5.14190e+01
Temperature range, min.294.82
Temperature range, max.420.56
Pvap 1.33 kPa 294.82 Calculated Property
Pvap 2.97 kPa 308.79 Calculated Property
Pvap 6.09 kPa 322.76 Calculated Property
Pvap 11.64 kPa 336.73 Calculated Property
Pvap 20.94 kPa 350.70 Calculated Property
Pvap 35.75 kPa 364.68 Calculated Property
Pvap 58.31 kPa 378.65 Calculated Property
Pvap 91.38 kPa 392.62 Calculated Property
Pvap 138.23 kPa 406.59 Calculated Property
Pvap 202.65 kPa 420.56 Calculated Property
Pvap [2.05e-03; 3341.31] kPa [217.50; 582.82] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.37823e+01
Coefficient B-8.17241e+03
Coefficient C-1.16608e+01
Coefficient D7.67977e-06
Temperature range, min.217.50
Temperature range, max.582.82
Pvap 2.05e-03 kPa 217.50 Calculated Property
Pvap 0.12 kPa 258.09 Calculated Property
Pvap 1.91 kPa 298.68 Calculated Property
Pvap 13.92 kPa 339.27 Calculated Property
Pvap 61.15 kPa 379.86 Calculated Property
Pvap 191.71 kPa 420.46 Calculated Property
Pvap 476.93 kPa 461.05 Calculated Property
Pvap 1010.15 kPa 501.64 Calculated Property
Pvap 1911.23 kPa 542.23 Calculated Property
Pvap 3341.31 kPa 582.82 Calculated Property

Similar Compounds

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

Find more compounds similar to 3-Hexanone.

Sources

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

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