Chemical Properties of 2-Nonanone (CAS 821-55-6)

2-Nonanone

InChI
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChI Key
VKCYHJWLYTUGCC-UHFFFAOYSA-N
Formula
C9H18O
SMILES
CCCCCCCC(C)=O
Molecular Weight1
142.24
CAS
821-55-6
Other Names
  • Ketone, heptyl methyl
  • METHYL-N-HEPTYL KETONE
  • Methyl n-heptyl ketone
  • NONANONE-2
  • Nonan-2-one
  • heptyl methyl ketone
  • methyl heptyl ketone
  • n-C7H15COCH3
  • «beta»-Nonanone
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Physical Properties

Property Value Unit Source
ω 0.5347 Relay (1.0) Calculated Property
ΔcH°liquid -5716.80 ± 1.20 kJ/mol NIST
ΔfG° -104.02 kJ/mol Joback Calculated Property
ΔfH°gas -340.80 ± 1.70 kJ/mol NIST
ΔfH°liquid -397.20 ± 1.70 kJ/mol NIST
ΔfusH° 27.35 kJ/mol Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
ΔvapH° 56.44 ± 0.06 kJ/mol NIST
IE [9.16; 9.38] eV Show Hide
IE 9.16 eV NIST
IE 9.32 ± 0.02 eV NIST
IE 9.38 eV NIST
log10WS [-2.58; -2.58]   Show Hide
log10WS -2.58 Aq. Solubility Prediction
log10WS -2.58 Estimated Solubility
logPoct/wat 2.936 Crippen Calculated Property
McVol 139.240 ml/mol McGowan Calculated Property
Pc 2482.00 ± 10.00 kPa NIST
ρc 254.61 ± 3.56 kg/m3 NIST
Inp [180.86; 1104.00]   Show Hide
Inp 1059.00 NIST
Inp 1069.76 NIST
Inp 1076.02 NIST
Inp 1078.68 NIST
Inp 1090.28 NIST
Inp 1093.07 NIST
Inp 1094.79 NIST
Inp 1093.10 NIST
Inp 1073.40 NIST
Inp 1079.80 NIST
Inp 1094.30 NIST
Inp 1095.20 NIST
Inp 1096.80 NIST
Inp 1052.00 NIST
Inp 1067.00 NIST
Inp 1047.00 NIST
Inp 1055.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1099.10 NIST
Inp 1073.00 NIST
Inp 1076.00 NIST
Inp 1078.00 NIST
Inp 1079.00 NIST
Inp 1091.00 NIST
Inp 1096.00 NIST
Inp 1092.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1096.00 NIST
Inp 1089.00 NIST
Inp 1070.00 NIST
Inp 1074.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1099.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1070.00 NIST
Inp 1091.00 NIST
Inp 1098.00 NIST
Inp 1096.00 NIST
Inp 1068.40 NIST
Inp 1089.60 NIST
Inp 1103.00 NIST
Inp 1070.00 NIST
Inp 1090.00 NIST
Inp 1070.00 NIST
Inp 1075.00 NIST
Inp 1077.00 NIST
Inp 1091.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1095.00 NIST
Inp 1080.00 NIST
Inp 1078.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1073.00 NIST
Inp 1074.00 NIST
Inp 1069.00 NIST
Inp 1069.00 NIST
Inp 1064.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1069.00 NIST
Inp 1075.00 NIST
Inp 1067.00 NIST
Inp 1070.00 NIST
Inp 1062.00 NIST
Inp 1090.00 NIST
Inp 1073.00 NIST
Inp 1051.00 NIST
Inp 1052.00 NIST
Inp 1054.00 NIST
Inp 1083.00 NIST
Inp 1095.00 NIST
Inp 1074.00 NIST
Inp 1046.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1069.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1098.00 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1071.00 NIST
Inp 1069.00 NIST
Inp 1070.00 NIST
Inp 1071.00 NIST
Inp 1072.00 NIST
Inp 1074.00 NIST
Inp 1070.00 NIST
Inp 1069.00 NIST
Inp 1076.00 NIST
Inp 1070.00 NIST
Inp 1070.00 NIST
Inp 1090.00 NIST
Inp 1092.00 NIST
Inp 1093.00 NIST
Inp 1095.00 NIST
Inp 1077.00 NIST
Inp 1089.00 NIST
Inp 1073.00 NIST
Inp 1101.00 NIST
Inp 1070.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1070.00 NIST
Inp 1078.00 NIST
Inp 1066.00 NIST
Inp 1095.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1090.00 NIST
Inp 1091.00 NIST
Inp 1095.00 NIST
Inp 1099.00 NIST
Inp 1093.00 NIST
Inp 1090.00 NIST
Inp 1090.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1068.00 NIST
Inp 1075.00 NIST
Inp 1094.00 NIST
Inp 1071.00 NIST
Inp 1070.00 NIST
Inp 1097.00 NIST
Inp 1094.00 NIST
Inp 1092.40 NIST
Inp 1088.00 NIST
Inp 1093.00 NIST
Inp 1092.00 NIST
Inp 1093.00 NIST
Inp 1088.00 NIST
Inp 1093.00 NIST
Inp 1066.00 NIST
Inp 1090.00 NIST
Inp 1092.00 NIST
Inp 1075.00 NIST
Inp 1083.00 NIST
Inp 1083.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1090.00 NIST
Inp 1093.00 NIST
Inp 1094.00 NIST
Inp 1094.00 NIST
Inp 1094.00 NIST
Inp 1093.00 NIST
Inp 1068.00 NIST
Inp 1097.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp 1070.00 NIST
Inp 1070.00 NIST
Inp 1069.00 NIST
Inp 1070.00 NIST
Inp 1094.00 NIST
Inp 1093.00 NIST
Inp 1095.00 NIST
Inp 1067.00 NIST
Inp 1085.00 NIST
Inp 1093.00 NIST
Inp 1070.00 NIST
Inp 1069.00 NIST
Inp 1049.00 NIST
Inp 1069.00 NIST
Inp 1072.00 NIST
Inp 1070.00 NIST
Inp 1068.00 NIST
Inp 1090.00 NIST
Inp 1072.00 NIST
Inp 1073.00 NIST
Inp 1073.00 NIST
Inp 1104.00 NIST
Inp 1092.00 NIST
Inp 1095.00 NIST
Inp 1093.00 NIST
Inp 1064.00 NIST
Inp 1090.00 NIST
Inp 1090.00 NIST
Inp 1093.00 NIST
Inp 1090.00 NIST
Inp 1069.00 NIST
Inp 1091.00 NIST
Inp 1090.00 NIST
Inp 1100.00 NIST
Inp 1098.00 NIST
Inp 1093.00 NIST
Inp 1063.00 NIST
Inp 1093.00 NIST
Inp 1094.00 NIST
Inp 1094.00 NIST
Inp 1093.00 NIST
Inp 1087.00 NIST
Inp 1091.00 NIST
Inp 1093.00 NIST
Inp 1047.00 NIST
Inp 1079.00 NIST
Inp 1091.00 NIST
Inp 1092.00 NIST
Inp 1091.00 NIST
Inp 1090.00 NIST
Inp 1090.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1058.00 NIST
Inp 1094.00 NIST
Inp 1093.00 NIST
Inp 1104.00 NIST
Inp 1102.00 NIST
Inp 1093.00 NIST
Inp 1087.00 NIST
Inp 1091.00 NIST
Inp 1080.00 NIST
Inp 1070.00 NIST
Inp 1094.00 NIST
Inp 1094.00 NIST
Inp 1074.00 NIST
Inp 1093.00 NIST
Inp 1091.00 NIST
Inp 1091.00 NIST
Inp 1069.00 NIST
Inp 1093.00 NIST
Inp 1092.00 NIST
Inp 1070.00 NIST
Inp 1047.00 NIST
Inp 1096.00 NIST
Inp 1093.00 NIST
Inp 1094.00 NIST
Inp 1072.00 NIST
Inp 1092.00 NIST
Inp 1072.00 NIST
Inp 1080.00 NIST
Inp 1070.00 NIST
Inp 1093.00 NIST
Inp 1093.00 NIST
Inp Outlier 180.86 NIST
Inp 1083.00 NIST
Inp 1094.00 NIST
Inp 1095.00 NIST
Inp 1073.00 NIST
Inp 1093.00 NIST
Inp 1090.00 NIST
Inp 1098.00 NIST
Inp 1047.00 NIST
Inp 1087.00 NIST
Inp 1069.00 NIST
Inp 1096.00 NIST
Inp 1072.00 NIST
Inp 1070.00 NIST
Inp 1066.00 NIST
Inp 1091.00 NIST
Inp 1092.40 NIST
Inp 1088.00 NIST
Inp 1075.00 NIST
I [1342.00; 1420.00]   Show Hide
I 1367.90 NIST
I 1380.00 NIST
I 1385.70 NIST
I 1397.00 NIST
I 1386.00 NIST
I 1385.00 NIST
I 1386.00 NIST
I 1390.00 NIST
I 1379.00 NIST
I 1387.00 NIST
I 1382.00 NIST
I 1379.00 NIST
I 1391.00 NIST
I 1385.00 NIST
I 1381.00 NIST
I 1380.00 NIST
I 1413.00 NIST
I 1415.00 NIST
I 1374.00 NIST
I 1382.00 NIST
I 1386.00 NIST
I 1380.00 NIST
I 1398.00 NIST
I 1393.00 NIST
I 1386.00 NIST
I 1393.00 NIST
I 1379.00 NIST
I 1389.00 NIST
I 1374.00 NIST
I 1394.00 NIST
I 1403.00 NIST
I 1394.00 NIST
I 1389.00 NIST
I 1393.00 NIST
I 1393.00 NIST
I 1391.00 NIST
I 1384.00 NIST
I 1391.00 NIST
I Outlier 1342.00 NIST
I Outlier 1347.00 NIST
I Outlier 1347.00 NIST
I 1377.00 NIST
I 1394.00 NIST
I 1396.00 NIST
I 1380.00 NIST
I 1370.00 NIST
I 1382.00 NIST
I 1394.00 NIST
I 1394.00 NIST
I 1392.00 NIST
I 1394.00 NIST
I 1374.00 NIST
I 1413.00 NIST
I 1390.00 NIST
I 1395.00 NIST
I 1379.00 NIST
I 1394.00 NIST
I 1391.00 NIST
I 1393.00 NIST
I 1392.00 NIST
I 1402.00 NIST
I 1366.00 NIST
I 1388.00 NIST
I 1385.00 NIST
I 1380.00 NIST
I 1392.00 NIST
I 1392.00 NIST
I 1392.00 NIST
I 1389.00 NIST
I 1391.00 NIST
I 1393.00 NIST
I 1398.00 NIST
I 1412.00 NIST
I 1417.00 NIST
I 1405.00 NIST
I 1415.00 NIST
I 1379.00 NIST
I Outlier 1350.00 NIST
I 1380.00 NIST
I 1388.00 NIST
I 1388.00 NIST
I 1388.00 NIST
I Outlier 1420.00 NIST
I 1372.00 NIST
I 1383.00 NIST
I 1397.00 NIST
I 1405.00 NIST
I 1405.00 NIST
I 1401.00 NIST
I 1381.00 NIST
I 1389.00 NIST
I 1405.00 NIST
I 1366.00 NIST
I 1373.00 NIST
I Outlier 1420.00 NIST
I 1397.00 NIST
I 1401.00 NIST
I 1384.00 NIST
I 1390.00 NIST
I 1386.00 NIST
I 1389.00 NIST
I 1390.00 NIST
I 1398.00 NIST
I 1366.00 NIST
I 1392.00 NIST
I 1394.00 NIST
I 1392.00 NIST
I 1388.00 NIST
I 1392.00 NIST
I 1398.00 NIST
I 1398.00 NIST
I 1374.00 NIST
I 1398.00 NIST
I 1398.00 NIST
I 1377.00 NIST
I Outlier 1420.00 NIST
I 1402.00 NIST
I 1395.00 NIST
I 1396.00 NIST
I 1387.00 NIST
I 1396.00 NIST
I Outlier 1420.00 NIST
I 1367.90 NIST
I 1390.00 NIST
I 1391.00 NIST
I 1415.00 NIST
I 1398.00 NIST
I 1389.00 NIST
I 1394.00 NIST
Tboil [461.65; 473.15] K Show Hide
Tboil 468.50 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 467.15 ± 2.00 K NIST
Tboil 467.55 ± 2.00 K NIST
Tboil Outlier 461.65 ± 2.00 K NIST
Tboil 467.15 ± 2.00 K NIST
Tboil Outlier 473.15 ± 2.00 K NIST
Tboil 468.45 ± 2.00 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 464.65 ± 2.00 K NIST
Tboil 468.15 ± 2.00 K NIST
Tc [651.90; 652.50] K Show Hide
Tc 651.90 ± 0.20 K NIST
Tc 652.50 ± 0.25 K NIST
Tfus [205.90; 262.98] K Show Hide
Tfus 262.98 K Aq. Solubility Prediction
Tfus 205.90 ± 0.40 K NIST
Vc 0.535 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 465.20 K 99.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [197.33; 472.67] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.06600e+00
Coefficient B8.30840e-01
Coefficient C-4.47100e-04
Coefficient D8.68600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 197.33 J/mol×K 273.00 Calculated Property
Cp,gas 243.89 J/mol×K 353.78 Calculated Property
Cp,gas 285.81 J/mol×K 434.56 Calculated Property
Cp,gas 323.38 J/mol×K 515.33 Calculated Property
Cp,gas 356.86 J/mol×K 596.11 Calculated Property
Cp,gas 386.54 J/mol×K 676.89 Calculated Property
Cp,gas 412.68 J/mol×K 757.67 Calculated Property
Cp,gas 435.57 J/mol×K 838.44 Calculated Property
Cp,gas 455.47 J/mol×K 919.22 Calculated Property
Cp,gas 472.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0053139; 0.0002884] Pa×s [234.44; 456.54] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.12265e+01
Coefficient B1.40407e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.234.44
Temperature range, max.456.54
η 0.0053139 Pa×s 234.44 Calculated Property
η 0.0030040 Pa×s 259.12 Calculated Property
η 0.0018753 Pa×s 283.80 Calculated Property
η 0.0012623 Pa×s 308.47 Calculated Property
η 0.0009010 Pa×s 333.15 Calculated Property
η 0.0006738 Pa×s 357.83 Calculated Property
η 0.0005231 Pa×s 382.51 Calculated Property
η 0.0004188 Pa×s 407.18 Calculated Property
η 0.0003439 Pa×s 431.86 Calculated Property
η 0.0002884 Pa×s 456.54 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [351.22; 496.37] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.50095e+01
Coefficient B-4.12511e+03
Coefficient C-7.10180e+01
Temperature range, min.351.22
Temperature range, max.496.37
Pvap 1.33 kPa 351.22 Calculated Property
Pvap 2.97 kPa 367.35 Calculated Property
Pvap 6.09 kPa 383.48 Calculated Property
Pvap 11.65 kPa 399.60 Calculated Property
Pvap 20.96 kPa 415.73 Calculated Property
Pvap 35.79 kPa 431.86 Calculated Property
Pvap 58.36 kPa 447.99 Calculated Property
Pvap 91.43 kPa 464.11 Calculated Property
Pvap 138.27 kPa 480.24 Calculated Property
Pvap 202.63 kPa 496.37 Calculated Property
Pvap [0.66; 105.02] kPa [335.15; 468.15] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.28514e+02
Coefficient B-1.12636e+04
Coefficient C-1.65872e+01
Coefficient D9.99868e-06
Coefficient E0.00000e+00
Temperature range, min.335.15
Temperature range, max.468.15
Pvap 0.66 kPa 335.15 Calculated Property
Pvap 1.47 kPa 349.93 Calculated Property
Pvap 3.04 kPa 364.71 Calculated Property
Pvap 5.84 kPa 379.48 Calculated Property
Pvap 10.56 kPa 394.26 Calculated Property
Pvap 18.13 kPa 409.04 Calculated Property
Pvap 29.73 kPa 423.82 Calculated Property
Pvap 46.83 kPa 438.59 Calculated Property
Pvap 71.22 kPa 453.37 Calculated Property
Pvap 105.02 kPa 468.15 Calculated Property
Pvap [0.13; 100.55] kPa [305.30; 468.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.54824e+01
Coefficient B-4.67541e+03
Coefficient C-3.79480e+01
ReferenceStull, 1947
Temperature range, min.305.30
Temperature range, max.468.00
Pvap 0.13 kPa 305.30 Calculated Property
Pvap 0.41 kPa 323.38 Calculated Property
Pvap 1.08 kPa 341.46 Calculated Property
Pvap 2.57 kPa 359.53 Calculated Property
Pvap 5.57 kPa 377.61 Calculated Property
Pvap 11.17 kPa 395.69 Calculated Property
Pvap 20.94 kPa 413.77 Calculated Property
Pvap 37.07 kPa 431.84 Calculated Property
Pvap 62.40 kPa 449.92 Calculated Property
Pvap 100.55 kPa 468.00 Calculated Property

Similar Compounds

2-Eicosanone. 2-Dodecanone. 2-Tricosanone. 2-Nonadecanone. 2-Tridecanone. 2-DOCOSANONE. Undecanone. 2-Heneicosanone. Methyl n-hexadecyl ketone. 2-Undecanone. Tridecanone-. 2-Decanone. 2-Tetradecanone. 2-Pentadecanone. 2-Heptadecanone.

Find more compounds similar to 2-Nonanone.

Mixtures

Sources

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