Chemical Properties of 5-Nonanone (CAS 502-56-7)

5-Nonanone

InChI
InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3
InChI Key
WSGCRAOTEDLMFQ-UHFFFAOYSA-N
Formula
C9H18O
SMILES
CCCCC(=O)CCCC
Molecular Weight1
142.24
CAS
502-56-7
Other Names
  • (n-C4H9)2CO
  • 5-Oxononane
  • Butyl ketone
  • DI-N-BUTYL KETONE
  • di-n-Butylketone
  • dibutyl ketone
  • nonan-5-one
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Physical Properties

Property Value Unit Source
ω 0.5164 Relay (1.0) Calculated Property
PAff 853.70 kJ/mol NIST
BasG 821.90 kJ/mol NIST
ΔcH°liquid -5715.80 ± 1.20 kJ/mol NIST
ΔfG° -104.02 kJ/mol Joback Calculated Property
ΔfH°gas -344.90 ± 1.30 kJ/mol NIST
ΔfH°liquid -398.20 ± 1.30 kJ/mol NIST
ΔfusH° 20.66 kJ/mol Joback Calculated Property
ΔvapH° [40.20; 55.00] kJ/mol Show Hide
ΔvapH° 40.20 kJ/mol NIST
ΔvapH° 54.90 ± 0.40 kJ/mol NIST
ΔvapH° 55.00 kJ/mol NIST
ΔvapH° 53.30 ± 0.08 kJ/mol NIST
ΔvapH° 53.30 ± 0.10 kJ/mol NIST
IE [9.07; 9.71] eV Show Hide
IE 9.07 eV NIST
IE 9.71 eV NIST
log10WS [-2.59; -2.58]   Show Hide
log10WS -2.59 Aq. Solubility Prediction
log10WS -2.58 Estimated Solubility
logPoct/wat 2.936 Crippen Calculated Property
McVol 139.240 ml/mol McGowan Calculated Property
Pc 2453.17 kPa Joback Calculated Property
ρc 254.61 ± 2.84 kg/m3 NIST
Inp [1035.00; 1082.00]   Show Hide
Inp 1055.00 NIST
Inp 1051.00 NIST
Inp 1052.00 NIST
Inp 1054.00 NIST
Inp 1059.00 NIST
Inp 1059.00 NIST
Inp 1060.00 NIST
Inp 1060.00 NIST
Inp 1038.00 NIST
Inp 1052.00 NIST
Inp Outlier 1035.00 NIST
Inp 1039.00 NIST
Inp 1073.00 NIST
Inp 1051.40 NIST
Inp 1075.30 NIST
Inp 1073.10 NIST
Inp 1074.50 NIST
Inp 1077.60 NIST
Inp 1076.20 NIST
Inp 1076.90 NIST
Inp 1051.00 NIST
Inp 1057.00 NIST
Inp 1064.00 NIST
Inp 1066.00 NIST
Inp 1070.00 NIST
Inp 1076.00 NIST
Inp 1082.00 NIST
Inp 1060.00 NIST
Inp 1073.00 NIST
Inp 1074.00 NIST
Inp 1053.00 NIST
Inp 1051.00 NIST
Inp 1058.00 NIST
Inp 1074.00 NIST
Inp 1051.00 NIST
Inp 1054.00 NIST
Inp 1074.00 NIST
Inp 1055.00 NIST
Inp 1059.00 NIST
Inp Outlier 1035.00 NIST
I [1309.90; 1360.00]   Show Hide
I 1353.90 NIST
I 1334.10 NIST
I 1340.60 NIST
I 1347.30 NIST
I 1309.90 NIST
I 1321.00 NIST
I 1325.60 NIST
I 1360.00 NIST
I 1360.00 NIST
I 1334.00 NIST
I 1330.00 NIST
I 1360.00 NIST
I 1325.00 NIST
I 1330.00 NIST
I 1353.90 NIST
I 1321.00 NIST
S°liquid 401.40 J/mol×K NIST
Tboil [455.00; 463.00] K Show Hide
Tboil 459.70 K NIST
Tboil 461.60 K NIST
Tboil 461.90 ± 4.00 K NIST
Tboil 461.10 ± 1.00 K NIST
Tboil 459.00 ± 7.00 K NIST
Tboil 461.00 ± 6.00 K NIST
Tboil 463.00 ± 7.00 K NIST
Tboil 460.80 ± 0.30 K NIST
Tboil Outlier 455.00 ± 4.00 K NIST
Tc [640.00; 641.40] K Show Hide
Tc 641.40 ± 0.30 K NIST
Tc 640.00 ± 4.00 K NIST
Tfus [238.55; 268.35] K Show Hide
Tfus 238.55 K Aq. Solubility Prediction
Tfus 267.30 ± 1.50 K NIST
Tfus 268.35 ± 1.50 K NIST
Ttriple [269.31; 269.31] K Show Hide
Ttriple 269.31 ± 0.05 K NIST
Ttriple 269.31 ± 0.05 K NIST
Vc 0.528 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [297.81; 371.09] J/mol×K [459.39; 633.59] Show Hide
Cp,gas 297.81 J/mol×K 459.39 Joback Calculated Property
Cp,gas 311.33 J/mol×K 488.42 Joback Calculated Property
Cp,gas 324.31 J/mol×K 517.46 Joback Calculated Property
Cp,gas 336.76 J/mol×K 546.49 Joback Calculated Property
Cp,gas 348.70 J/mol×K 575.52 Joback Calculated Property
Cp,gas 360.14 J/mol×K 604.56 Joback Calculated Property
Cp,gas 371.09 J/mol×K 633.59 Joback Calculated Property
Cp,liquid [303.00; 306.30] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 306.30 J/mol×K 298.15 NIST
Cp,liquid 303.60 J/mol×K 298.15 NIST
Cp,liquid 303.00 J/mol×K 298.15 NIST
η [0.0002830; 0.0045015] Pa×s [241.12; 459.39] Show Hide
η 0.0045015 Pa×s 241.12 Joback Calculated Property
η 0.0020981 Pa×s 277.50 Joback Calculated Property
η 0.0011672 Pa×s 313.88 Joback Calculated Property
η 0.0007334 Pa×s 350.25 Joback Calculated Property
η 0.0005030 Pa×s 386.63 Joback Calculated Property
η 0.0003681 Pa×s 423.01 Joback Calculated Property
η 0.0002830 Pa×s 459.39 Joback Calculated Property
ΔfusH [11.27; 24.94] kJ/mol [269.30; 451.80] Show Hide
ΔfusH 24.94 kJ/mol 269.30 NIST
ΔfusH 11.27 kJ/mol 451.80 NIST
ΔfusH 11.27 kJ/mol 451.80 NIST
ΔvapH [44.70; 49.70] kJ/mol [412.50; 464.50] Show Hide
ΔvapH 49.70 kJ/mol 412.50 NIST
ΔvapH 44.70 kJ/mol 464.50 NIST
Pvap [0.03; 0.96] kPa [283.83; 337.15] Show Hide
Pvap 0.03 kPa 283.83 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.03 kPa 283.85 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.03 kPa 286.19 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.04 kPa 288.55 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.04 kPa 288.55 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.04 kPa 290.90 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.05 kPa 293.32 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.05 kPa 293.35 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.07 kPa 295.75 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.08 kPa 298.10 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.08 kPa 298.12 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.09 kPa 300.56 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.11 kPa 302.92 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.11 kPa 302.94 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.13 kPa 305.38 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.16 kPa 307.75 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.16 kPa 307.77 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.18 kPa 310.19 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.22 kPa 312.99 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.22 kPa 313.02 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.25 kPa 315.00 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.26 kPa 315.38 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.30 kPa 317.80 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.30 kPa 317.81 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.35 kPa 320.16 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.35 kPa 320.18 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.41 kPa 322.58 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.41 kPa 322.62 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.48 kPa 324.99 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.47 kPa 325.05 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.55 kPa 327.44 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.55 kPa 327.49 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.63 kPa 329.90 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.64 kPa 329.95 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.73 kPa 332.32 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.73 kPa 332.35 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.83 kPa 334.71 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.84 kPa 334.74 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.96 kPa 337.13 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
Pvap 0.95 kPa 337.15 Vapor pressures and vaporization enthalpies of 5-nonanone, linalool and 6-methyl-5-hepten-2-one. Data evaluation
ΔfusS [24.94; 92.59] J/mol×K [269.30; 451.80] Show Hide
ΔfusS 92.59 J/mol×K 269.30 NIST
ΔfusS 24.94 J/mol×K 451.80 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 361.20 K 2.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [346.78; 484.65] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54166e+01
Coefficient B-4.19534e+03
Coefficient C-6.94750e+01
Temperature range, min.346.78
Temperature range, max.484.65
Pvap 1.33 kPa 346.78 Calculated Property
Pvap 2.94 kPa 362.10 Calculated Property
Pvap 6.01 kPa 377.42 Calculated Property
Pvap 11.45 kPa 392.74 Calculated Property
Pvap 20.61 kPa 408.06 Calculated Property
Pvap 35.23 kPa 423.37 Calculated Property
Pvap 57.62 kPa 438.69 Calculated Property
Pvap 90.60 kPa 454.01 Calculated Property
Pvap 137.61 kPa 469.33 Calculated Property
Pvap 202.67 kPa 484.65 Calculated Property
Pvap [0.01; 178.28] kPa [276.15; 485.15] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.69946e+02
Coefficient B-1.28651e+04
Coefficient C-2.29607e+01
Coefficient D1.59500e-05
Temperature range, min.276.15
Temperature range, max.485.15
Pvap 0.01 kPa 276.15 Calculated Property
Pvap 0.08 kPa 299.37 Calculated Property
Pvap 0.41 kPa 322.59 Calculated Property
Pvap 1.53 kPa 345.82 Calculated Property
Pvap 4.66 kPa 369.04 Calculated Property
Pvap 11.99 kPa 392.26 Calculated Property
Pvap 26.99 kPa 415.48 Calculated Property
Pvap 54.72 kPa 438.71 Calculated Property
Pvap 102.07 kPa 461.93 Calculated Property
Pvap 178.28 kPa 485.15 Calculated Property

Similar Compounds

4-Octanone. 6-Undecanone. 5-Decanone. 3-Heptanone. 11-Heneicosanone. 10-Nonadecanone. 7-Heptadecanone. 8-Pentadecanone. 5-Dodecanone. Octacosan-14-one. 7-Tetradecanone. 5-Undecanone. 6-Tridecanone. 15-Nonacosanone. 5-Tridecanone.

Find more compounds similar to 5-Nonanone.

Sources

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