Chemical Properties of 3-Pentanone (CAS 96-22-0)

3-Pentanone

PDF Excel Molecule Calculator
InChI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChI Key
FDPIMTJIUBPUKL-UHFFFAOYSA-N
Formula
C5H10O
SMILES
CCC(=O)CC
Molecular Weight1
86.13
CAS
96-22-0
Other Names
  • (C2H5)2CO
  • 1,3-Dimethylacetone
  • DEK
  • Diethyl ketone
  • Diethylcetone
  • Dimethylacetone
  • Ethyl ketone
  • Ethyl propionyl
  • Metacetone
  • Methacetone
  • NSC 8653
  • PROPIONE
  • Pentan-3-one
  • Pentanone-3
  • UN 1156
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.3440 KDB
PAff 836.80 kJ/mol NIST
BasG [802.60; 807.00] kJ/mol Show Hide
BasG 807.00 kJ/mol NIST
BasG 803.80 ± 0.30 kJ/mol NIST
BasG 802.60 kJ/mol NIST
Δcliquid [-3104.70; -3100.20] kJ/mol Show Hide
Δcliquid -3104.70 ± 0.90 kJ/mol NIST
Δcliquid -3100.20 ± 1.00 kJ/mol NIST
μ 2.70 debye KDB
Δf -135.40 kJ/mol KDB
Δfgas [-260.50; -253.40] kJ/mol Show Hide
Δfgas -258.80 kJ/mol KDB
Δfgas -253.40 ± 0.90 kJ/mol NIST
Δfgas -257.95 ± 0.84 kJ/mol NIST
Δfgas -260.50 ± 1.60 kJ/mol NIST
Δfliquid -296.51 ± 0.83 kJ/mol NIST
Δfus 10.30 kJ/mol Joback Calculated Property
Δvap [38.50; 38.70] kJ/mol Show Hide
Δvap 38.68 kJ/mol NIST
Δvap 38.52 kJ/mol NIST
Δvap 38.50 kJ/mol NIST
Δvap 38.70 ± 0.30 kJ/mol NIST
Δvap 38.60 kJ/mol NIST
IE [9.22; 9.37] eV Show Hide
IE 9.31 ± 0.02 eV NIST
IE 9.31 eV NIST
IE 9.30 eV NIST
IE Outlier 9.22 ± 0.02 eV NIST
IE 9.31 ± 0.01 eV NIST
IE 9.31 ± 0.01 eV NIST
IE 9.37 ± 0.03 eV NIST
IE 9.31 ± 0.02 eV NIST
IE 9.32 ± 0.01 eV NIST
log10WS [-0.28; -0.28]   Show Hide
log10WS -0.28 Aq. Sol...
log10WS -0.28 Estimat...
logPoct/wat 1.375 Crippen Calculated Property
McVol 82.880 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 1 KDB
Pc [3729.00; 3740.00] kPa Show Hide
Pc 3729.00 kPa KDB
Pc 3729.00 ± 10.00 kPa NIST
Pc 3740.00 ± 41.40 kPa NIST
ρc 255.81 ± 30.15 kg/m3 NIST
Inp [638.00; 707.00]   Show Hide
Inp 676.40 NIST
Inp 676.91 NIST
Inp 675.75 NIST
Inp 675.42 NIST
Inp 675.52 NIST
Inp 675.84 NIST
Inp 677.74 NIST
Inp 677.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 682.00 NIST
Inp 681.00 NIST
Inp 682.00 NIST
Inp 682.00 NIST
Inp Outlier 640.00 NIST
Inp 658.00 NIST
Inp 665.00 NIST
Inp 651.00 NIST
Inp Outlier 638.00 NIST
Inp 647.00 NIST
Inp 651.00 NIST
Inp 647.00 NIST
Inp 672.00 NIST
Inp 700.00 NIST
Inp 651.00 NIST
Inp 651.00 NIST
Inp 670.00 NIST
Inp 659.00 NIST
Inp 651.00 NIST
Inp 703.00 NIST
Inp 707.00 NIST
Inp 694.00 NIST
Inp 703.00 NIST
Inp 675.00 NIST
Inp 665.00 NIST
Inp 672.00 NIST
Inp 689.00 NIST
Inp 697.00 NIST
Inp 687.00 NIST
Inp 697.00 NIST
Inp 675.00 NIST
Inp 700.00 NIST
Inp 701.30 NIST
Inp 671.00 NIST
Inp 669.00 NIST
Inp 669.00 NIST
Inp 675.00 NIST
Inp 669.92 NIST
Inp 701.00 NIST
Inp 681.00 NIST
Inp 669.00 NIST
Inp 688.00 NIST
Inp 685.00 NIST
Inp 651.00 NIST
Inp 676.00 NIST
Inp 650.00 NIST
Inp 677.00 NIST
Inp 705.00 NIST
Inp 675.00 NIST
Inp 681.00 NIST
Inp 688.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 678.00 NIST
Inp 678.00 NIST
Inp 683.00 NIST
Inp 666.00 NIST
Inp 669.00 NIST
Inp 685.00 NIST
Inp 683.00 NIST
Inp 643.00 NIST
I [956.00; 1011.30]   Show Hide
I Outlier 1011.30 NIST
I 996.90 NIST
I 1001.50 NIST
I Outlier 1006.30 NIST
I 974.00 NIST
I 976.00 NIST
I 958.00 NIST
I 983.00 NIST
I 983.00 NIST
I 983.00 NIST
I 978.00 NIST
I 977.00 NIST
I 970.00 NIST
I 956.00 NIST
I 979.00 NIST
I 979.00 NIST
I 970.00 NIST
I 981.00 NIST
I 975.00 NIST
I 964.00 NIST
I 980.00 NIST
I 971.00 NIST
I 969.00 NIST
I 1002.00 NIST
I 983.00 NIST
I 980.00 NIST
I 997.00 NIST
I 980.00 NIST
I 986.00 NIST
I 965.00 NIST
I 977.00 NIST
I 981.00 NIST
I 965.00 NIST
I 977.00 NIST
I 970.00 NIST
I 971.00 NIST
liquid 266.00 J/mol×K NIST
Tboil 375.11 K KDB
Tc [560.90; 561.50] K Show Hide
Tc 561.46 K KDB
Tc 561.50 K NIST
Tc 561.46 ± 0.20 K NIST
Tc 560.90 ± 0.56 K NIST
Tfus [231.15; 234.18] K Show Hide
Tfus 234.00 K KDB
Tfus 233.90 K Aq. Sol...
Tfus 234.15 ± 0.02 K NIST
Tfus 234.18 ± 0.01 K NIST
Tfus 233.35 ± 0.40 K NIST
Tfus 231.20 ± 1.50 K NIST
Tfus 231.15 ± 0.50 K NIST
Ttriple [234.16; 234.36] K Show Hide
Ttriple 234.36 K Thermod...
Ttriple 234.16 ± 0.03 K NIST
Ttriple 234.16 ± 0.03 K NIST
Vc 0.336 m3/kmol KDB
Zc 0.2683960 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [146.31; 175.14] J/mol×K [364.15; 473.15] Show Hide
Cp,gas 146.31 J/mol×K 364.15 NIST
Cp,gas 151.38 J/mol×K 383.15 NIST
Cp,gas 156.77 J/mol×K 403.15 NIST
Cp,gas 162.13 J/mol×K 423.15 NIST
Cp,gas 168.70 J/mol×K 448.15 NIST
Cp,gas 175.14 J/mol×K 473.15 NIST
Cp,liquid [190.00; 200.70] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 196.40 J/mol×K 298.15 NIST
Cp,liquid 195.70 J/mol×K 298.15 NIST
Cp,liquid 190.30 J/mol×K 298.15 NIST
Cp,liquid 190.00 J/mol×K 298.15 NIST
Cp,liquid 200.70 J/mol×K 298.15 NIST
Cp,liquid 190.90 J/mol×K 298.15 NIST
η [0.0003760; 0.0004714] Pa×s [293.15; 313.15] Show Hide
η 0.0004714 Pa×s 293.15 Viscosi...
η 0.0004490 Pa×s 298.15 Density...
η 0.0004231 Pa×s 303.15 Viscosi...
η 0.0004290 Pa×s 303.15 Densiti...
η 0.0004190 Pa×s 303.15 Density...
η 0.0003960 Pa×s 308.15 Density...
η 0.0003970 Pa×s 308.15 Densiti...
η 0.0003880 Pa×s 313.15 Densiti...
η 0.0003799 Pa×s 313.15 Viscosi...
η 0.0003760 Pa×s 313.15 Density...
ΔfusH [0.01; 11.59] kJ/mol [118.50; 234.20] Show Hide
ΔfusH 0.11 kJ/mol 118.50 NIST
ΔfusH 0.01 kJ/mol 180.00 NIST
ΔfusH 11.59 kJ/mol 234.20 NIST
ΔfusH 11.59 kJ/mol 234.20 NIST
ΔvapH [33.30; 36.90] kJ/mol [303.00; 527.50] Show Hide
ΔvapH 36.90 kJ/mol 303.00 NIST
ΔvapH 35.90 ± 0.20 kJ/mol 332.50 NIST
ΔvapH 36.10 ± 0.10 kJ/mol 335.00 NIST
ΔvapH 34.90 ± 0.10 kJ/mol 354.00 NIST
ΔvapH 36.60 kJ/mol 356.50 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 375.00 NIST
ΔvapH 33.45 kJ/mol 375.20 NIST
ΔvapH 36.60 kJ/mol 377.50 NIST
ΔvapH 33.70 kJ/mol 461.50 NIST
ΔvapH 33.30 kJ/mol 527.50 NIST
n0 [1.39000; 1.39020]   [298.15; 298.15] Show Hide
n0 1.39020 298.15 Excess ...
n0 1.39000 298.15 Phase E...
ρl [789.41; 818.90] kg/m3 [288.15; 318.15] Show Hide
ρl 818.90 kg/m3 288.15 Thermal...
ρl 814.00 kg/m3 293.00 KDB
ρl 809.09 kg/m3 298.15 Excess ...
ρl 809.38 kg/m3 298.15 Excess ...
ρl 809.16 kg/m3 298.15 Thermal...
ρl 804.62 kg/m3 303.15 Excess ...
ρl 799.55 kg/m3 308.15 Excess ...
ρl 799.32 kg/m3 308.15 Thermal...
ρl 789.63 kg/m3 318.15 Excess ...
ρl 789.41 kg/m3 318.15 Thermal...
ΔfusS [0.04; 49.50] J/mol×K [118.50; 234.20] Show Hide
ΔfusS 0.96 J/mol×K 118.50 NIST
ΔfusS 0.04 J/mol×K 180.00 NIST
ΔfusS 49.50 J/mol×K 234.20 NIST
csound,fluid [1160.00; 1197.00] m/s [303.15; 313.15] Show Hide
csound,fluid 1197.00 m/s 303.15 Densiti...
csound,fluid 1179.00 m/s 308.15 Densiti...
csound,fluid 1160.00 m/s 313.15 Densiti...
γ [0.02; 0.03] N/m [283.15; 329.15] Show Hide
γ 0.03 N/m 283.15 Thermod...
γ 0.03 N/m 285.15 Thermod...
γ 0.03 N/m 287.15 Thermod...
γ 0.03 N/m 289.15 Thermod...
γ 0.03 N/m 291.15 Thermod...
γ 0.03 N/m 293.15 Thermod...
γ 0.03 N/m 295.15 Thermod...
γ 0.03 N/m 297.15 Thermod...
γ 0.03 N/m 299.15 Thermod...
γ 0.02 N/m 301.15 Thermod...
γ 0.02 N/m 303.15 Thermod...
γ 0.02 N/m 305.15 Thermod...
γ 0.02 N/m 307.15 Thermod...
γ 0.02 N/m 309.15 Thermod...
γ 0.02 N/m 311.15 Thermod...
γ 0.02 N/m 313.15 Thermod...
γ 0.02 N/m 315.15 Thermod...
γ 0.02 N/m 317.15 Thermod...
γ 0.02 N/m 319.15 Thermod...
γ 0.02 N/m 321.15 Thermod...
γ 0.02 N/m 323.15 Thermod...
γ 0.02 N/m 325.15 Thermod...
γ 0.02 N/m 327.15 Thermod...
γ 0.02 N/m 329.15 Thermod...

Datasets

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
308.15 101.30 0.0004
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [274.94; 399.57] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47173e+01
Coefficient B-3.36681e+03
Coefficient C-4.16190e+01
Temperature range, min.274.94
Temperature range, max.399.57
Pvap 1.33 kPa 274.94 Calculated Property
Pvap 2.99 kPa 288.79 Calculated Property
Pvap 6.16 kPa 302.64 Calculated Property
Pvap 11.80 kPa 316.48 Calculated Property
Pvap 21.24 kPa 330.33 Calculated Property
Pvap 36.22 kPa 344.18 Calculated Property
Pvap 58.94 kPa 358.03 Calculated Property
Pvap 92.09 kPa 371.87 Calculated Property
Pvap 138.80 kPa 385.72 Calculated Property
Pvap 202.66 kPa 399.57 Calculated Property
Pvap [0.06; 3708.73] kPa [234.18; 561.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.00329e+01
Coefficient B-6.68960e+03
Coefficient C-8.16282e+00
Coefficient D5.65048e-06
Temperature range, min.234.18
Temperature range, max.561.00
Pvap 0.06 kPa 234.18 Calculated Property
Pvap 1.00 kPa 270.49 Calculated Property
Pvap 7.53 kPa 306.81 Calculated Property
Pvap 34.69 kPa 343.12 Calculated Property
Pvap 114.38 kPa 379.43 Calculated Property
Pvap 297.85 kPa 415.75 Calculated Property
Pvap 654.34 kPa 452.06 Calculated Property
Pvap 1269.29 kPa 488.37 Calculated Property
Pvap 2245.41 kPa 524.69 Calculated Property
Pvap 3708.73 kPa 561.00 Calculated Property

Similar Compounds

2-Butanone. 3,5-Heptanedione. 2,3-Pentanedione. 2-Pentanone. 2,4-Hexanedione. 3-Hexanone. 3,6-octanedione. 4-Heptanone. 3,4-Hexanedione. 3,6-Heptanedione. 1-Chloro-3-pentanone. 3-Pentanone, 2-methyl-. 1,4-Cyclohexanedione. Cyclopentanone. 3-Heptanone.

Find more compounds similar to 3-Pentanone.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.