Chemical Properties of 5-Hepten-2-one, 6-methyl- (CAS 110-93-0)

5-Hepten-2-one, 6-methyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
InChI Key
UHEPJGULSIKKTP-UHFFFAOYSA-N
Formula
C8H14O
SMILES
CC(=O)CCC=C(C)C
Molecular Weight1
126.20
CAS
110-93-0
Other Names
  • 2-Methyl-2-hepten-6-one
  • 2-methyl-6-heptenone
  • 2-methylhept-2-en-6-one
  • 5-heptene-2-one, 6-methyl-
  • 6-Methyl hept-5-en-2-one
  • 6-Methyl hept-5-ene-2-one
  • 6-Methyl-5-hepten-2-one
  • 6-Methyl-5-heptene-2-one
  • 6-methyI-5-hepten-2-one
  • Methyl heptenone
  • NSC 15294
  • Sulcatone
  • methyl-5-hepten-2-one
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Physical Properties

Property Value Unit Source
Δcliquid -4837.80 ± 1.60 kJ/mol NIST
Δf -40.77 kJ/mol Joback Calculated Property
Δfgas -303.70 ± 1.60 kJ/mol NIST
Δfus 16.97 kJ/mol Joback Calculated Property
Δvap 40.19 kJ/mol Joback Calculated Property
log10WS -2.30 Crippen Calculated Property
logPoct/wat 2.322 Crippen Calculated Property
McVol 120.850 ml/mol McGowan Calculated Property
Pc 2871.95 kPa Joback Calculated Property
Inp [942.00; 1011.00]   Show Hide
Inp 963.90 NIST
Inp 972.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 975.00 NIST
Inp 974.00 NIST
Inp 977.00 NIST
Inp 987.00 NIST
Inp 994.00 NIST
Inp 987.00 NIST
Inp 966.00 NIST
Inp 985.00 NIST
Inp 966.00 NIST
Inp 968.00 NIST
Inp 966.00 NIST
Inp 967.00 NIST
Inp 964.00 NIST
Inp 968.00 NIST
Inp 991.00 NIST
Inp 985.00 NIST
Inp 988.00 NIST
Inp 987.00 NIST
Inp 958.00 NIST
Inp 987.00 NIST
Inp 986.00 NIST
Inp 989.00 NIST
Inp 987.00 NIST
Inp 960.00 NIST
Inp 960.00 NIST
Inp 980.00 NIST
Inp 982.00 NIST
Inp 987.00 NIST
Inp 984.00 NIST
Inp 972.00 NIST
Inp 965.00 NIST
Inp 972.00 NIST
Inp 980.20 NIST
Inp 960.00 NIST
Inp 963.00 NIST
Inp 999.00 NIST
Inp 987.00 NIST
Inp 969.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 983.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 987.00 NIST
Inp 986.00 NIST
Inp 989.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 985.00 NIST
Inp 981.00 NIST
Inp 985.00 NIST
Inp 980.00 NIST
Inp 989.00 NIST
Inp 965.00 NIST
Inp 993.00 NIST
Inp 988.00 NIST
Inp 961.00 NIST
Inp 987.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 988.00 NIST
Inp 987.00 NIST
Inp 969.00 NIST
Inp 987.00 NIST
Inp 985.00 NIST
Inp 961.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 981.00 NIST
Inp 984.80 NIST
Inp Outlier 1003.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp Outlier 942.00 NIST
Inp 988.00 NIST
Inp 961.00 NIST
Inp 984.00 NIST
Inp Outlier 951.00 NIST
Inp 962.00 NIST
Inp 985.00 NIST
Inp 983.00 NIST
Inp Outlier 942.00 NIST
Inp 962.00 NIST
Inp 962.00 NIST
Inp 985.00 NIST
Inp 987.40 NIST
Inp 982.00 NIST
Inp 975.00 NIST
Inp 984.00 NIST
Inp 981.00 NIST
Inp 984.00 NIST
Inp 965.50 NIST
Inp 962.00 NIST
Inp Outlier 942.00 NIST
Inp Outlier 942.00 NIST
Inp 986.00 NIST
Inp 987.00 NIST
Inp 988.00 NIST
Inp 962.30 NIST
Inp Outlier 942.40 NIST
Inp 985.30 NIST
Inp 973.00 NIST
Inp 984.00 NIST
Inp 962.00 NIST
Inp 965.00 NIST
Inp 961.00 NIST
Inp 989.00 NIST
Inp 962.00 NIST
Inp 966.00 NIST
Inp 970.00 NIST
Inp 986.40 NIST
Inp 995.00 NIST
Inp 986.00 NIST
Inp 986.00 NIST
Inp 982.00 NIST
Inp 987.00 NIST
Inp 996.00 NIST
Inp 989.00 NIST
Inp 963.00 NIST
Inp 995.00 NIST
Inp 991.00 NIST
Inp 988.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 988.00 NIST
Inp 984.00 NIST
Inp 984.00 NIST
Inp 989.00 NIST
Inp 963.00 NIST
Inp 986.00 NIST
Inp 966.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 961.00 NIST
Inp 986.00 NIST
Inp 990.00 NIST
Inp 961.00 NIST
Inp 964.00 NIST
Inp 987.00 NIST
Inp 986.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 979.00 NIST
Inp 979.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 957.00 NIST
Inp 984.00 NIST
Inp 982.00 NIST
Inp 984.00 NIST
Inp 986.00 NIST
Inp 986.00 NIST
Inp 989.00 NIST
Inp 985.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 979.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 983.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 985.00 NIST
Inp 985.00 NIST
Inp 992.00 NIST
Inp 987.00 NIST
Inp 959.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 964.00 NIST
Inp 996.00 NIST
Inp 990.00 NIST
Inp 962.00 NIST
Inp 986.00 NIST
Inp 982.00 NIST
Inp 999.00 NIST
Inp 997.00 NIST
Inp 984.00 NIST
Inp 993.00 NIST
Inp Outlier 1011.00 NIST
Inp 995.40 NIST
Inp 993.00 NIST
Inp 986.00 NIST
Inp 986.00 NIST
Inp 991.00 NIST
Inp 979.00 NIST
Inp 969.00 NIST
Inp 988.00 NIST
Inp 988.00 NIST
Inp 993.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 965.00 NIST
Inp 968.00 NIST
Inp 985.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 986.00 NIST
Inp 962.00 NIST
Inp 982.00 NIST
Inp 990.00 NIST
Inp 983.00 NIST
Inp 984.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 986.00 NIST
Inp 965.00 NIST
Inp 968.00 NIST
Inp 960.00 NIST
Inp 978.00 NIST
Inp 967.00 NIST
Inp 986.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 972.00 NIST
Inp 994.00 NIST
Inp 987.00 NIST
Inp 963.00 NIST
Inp 967.00 NIST
Inp 985.00 NIST
Inp 962.00 NIST
Inp 962.00 NIST
Inp 973.00 NIST
Inp 988.00 NIST
Inp 988.00 NIST
Inp 965.00 NIST
Inp 966.28 NIST
Inp 977.00 NIST
Inp 984.00 NIST
Inp 985.00 NIST
Inp 987.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 967.00 NIST
Inp 967.00 NIST
Inp 991.00 NIST
Inp 961.00 NIST
Inp 962.00 NIST
Inp 965.00 NIST
Inp 970.00 NIST
Inp 966.00 NIST
Inp 966.00 NIST
Inp 961.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 963.00 NIST
Inp 965.00 NIST
Inp 960.00 NIST
Inp 963.00 NIST
Inp 968.00 NIST
Inp 972.00 NIST
Inp 987.00 NIST
Inp 975.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 961.00 NIST
Inp 962.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 986.00 NIST
Inp 974.00 NIST
Inp 986.00 NIST
Inp 994.00 NIST
Inp 988.00 NIST
Inp 974.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 989.00 NIST
Inp 983.00 NIST
Inp 985.00 NIST
Inp 977.00 NIST
Inp 986.00 NIST
Inp 987.00 NIST
Inp 990.00 NIST
Inp 990.00 NIST
Inp 987.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 981.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 987.00 NIST
Inp 986.00 NIST
Inp 991.00 NIST
Inp 988.00 NIST
Inp 985.00 NIST
Inp 976.00 NIST
Inp 989.00 NIST
Inp 984.00 NIST
Inp 988.00 NIST
Inp 986.00 NIST
Inp 957.00 NIST
Inp 987.00 NIST
Inp 985.00 NIST
Inp 984.00 NIST
Inp 986.00 NIST
Inp 982.00 NIST
Inp 985.00 NIST
Inp 987.00 NIST
Inp 960.00 NIST
Inp 980.00 NIST
Inp 984.00 NIST
Inp 965.00 NIST
Inp 987.00 NIST
Inp 980.00 NIST
Inp 980.00 NIST
Inp 970.00 NIST
Inp 974.00 NIST
Inp 986.00 NIST
Inp 993.00 NIST
Inp 965.00 NIST
Inp 965.00 NIST
Inp 960.00 NIST
Inp 981.00 NIST
Inp 983.00 NIST
Inp 968.00 NIST
Inp 964.00 NIST
Inp 964.00 NIST
Inp 964.00 NIST
Inp 968.00 NIST
Inp 966.00 NIST
Inp 966.00 NIST
Inp 975.00 NIST
Inp 991.00 NIST
Inp 988.00 NIST
Inp 989.00 NIST
Inp 982.00 NIST
Inp 972.00 NIST
Inp 987.00 NIST
Inp 985.00 NIST
Inp 986.00 NIST
Inp 980.00 NIST
Inp 961.00 NIST
Inp Outlier 942.00 NIST
Inp 962.00 NIST
Inp 984.00 NIST
Inp 962.30 NIST
Inp 966.00 NIST
Inp 963.00 NIST
Inp 979.00 NIST
Inp 993.00 NIST
Inp 968.00 NIST
Inp 960.00 NIST
Inp 967.00 NIST
Inp 965.00 NIST
Inp 963.90 NIST
Inp 994.00 NIST
Inp 974.00 NIST
Inp 964.00 NIST
Inp 975.00 NIST
I [1301.00; 1387.00]   Show Hide
I 1342.00 NIST
I 1342.00 NIST
I 1340.00 NIST
I 1341.00 NIST
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I 1340.00 NIST
I 1318.00 NIST
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I 1325.00 NIST
I 1341.00 NIST
I 1338.00 NIST
I 1340.00 NIST
I 1341.00 NIST
I 1340.00 NIST
I 1327.00 NIST
I 1323.00 NIST
I 1330.00 NIST
I 1337.00 NIST
I 1343.00 NIST
I 1344.00 NIST
I 1323.00 NIST
I 1340.00 NIST
I Outlier 1301.00 NIST
I 1324.00 NIST
I 1333.00 NIST
I 1330.00 NIST
I 1327.00 NIST
I 1320.00 NIST
I 1313.00 NIST
I 1336.00 NIST
I 1336.00 NIST
I 1337.00 NIST
I 1323.00 NIST
I 1346.00 NIST
I 1317.00 NIST
I 1325.00 NIST
I 1332.00 NIST
I 1319.00 NIST
I 1326.00 NIST
I 1346.00 NIST
I 1332.00 NIST
I 1326.00 NIST
I 1330.00 NIST
I 1324.00 NIST
I 1347.00 NIST
I Outlier 1367.00 NIST
I 1339.00 NIST
I 1335.00 NIST
I 1361.00 NIST
I 1321.00 NIST
I 1352.00 NIST
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I 1352.00 NIST
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I Outlier 1387.00 NIST
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I 1332.00 NIST
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I Outlier 1365.00 NIST
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I 1355.00 NIST
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I 1325.00 NIST
I 1338.00 NIST
I 1338.00 NIST
I Outlier 1365.00 NIST
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I 1345.00 NIST
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I 1330.00 NIST
I 1343.00 NIST
I 1340.00 NIST
I 1343.00 NIST
I 1339.00 NIST
I 1347.00 NIST
I 1359.00 NIST
I Outlier 1365.00 NIST
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I 1346.00 NIST
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I 1340.00 NIST
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I 1347.00 NIST
I 1312.00 NIST
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I 1340.00 NIST
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I 1336.00 NIST
I 1317.00 NIST
I 1319.00 NIST
I 1317.00 NIST
I Outlier 1375.00 NIST
I 1342.00 NIST
I 1348.00 NIST
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I 1357.00 NIST
I 1341.00 NIST
I 1345.00 NIST
I 1342.00 NIST
I 1348.00 NIST
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I 1332.00 NIST
I 1329.00 NIST
I 1358.00 NIST
I 1344.00 NIST
I 1336.00 NIST
I 1336.00 NIST
I 1335.00 NIST
I 1338.00 NIST
I 1335.00 NIST
I Outlier 1368.00 NIST
I 1343.00 NIST
I 1335.00 NIST
I 1340.00 NIST
I 1348.00 NIST
I 1335.00 NIST
I 1328.00 NIST
I 1340.00 NIST
I 1340.00 NIST
I 1338.00 NIST
I 1340.00 NIST
I 1320.00 NIST
I Outlier 1303.00 NIST
I Outlier 1308.00 NIST
I Outlier 1363.00 NIST
I 1320.00 NIST
I 1320.00 NIST
I 1332.00 NIST
I 1327.00 NIST
I 1340.00 NIST
I 1340.00 NIST
I 1348.00 NIST
I 1347.00 NIST
I 1332.00 NIST
I 1338.00 NIST
I 1339.00 NIST
I 1346.00 NIST
I 1351.00 NIST
I 1340.00 NIST
I 1316.00 NIST
I 1328.00 NIST
I 1348.00 NIST
I 1320.00 NIST
I 1320.00 NIST
I 1322.00 NIST
I 1339.00 NIST
I 1348.00 NIST
I 1321.00 NIST
I 1321.00 NIST
I 1348.00 NIST
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I 1352.00 NIST
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I 1324.00 NIST
I 1335.00 NIST
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I 1348.00 NIST
I 1348.00 NIST
I 1348.00 NIST
I 1348.00 NIST
I 1337.00 NIST
I 1348.00 NIST
I 1325.00 NIST
I 1348.00 NIST
I 1348.00 NIST
I 1348.00 NIST
I 1348.00 NIST
I 1348.00 NIST
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I 1345.00 NIST
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I 1340.00 NIST
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I 1333.00 NIST
I 1333.00 NIST
I 1314.00 NIST
I 1314.00 NIST
I 1348.00 NIST
I 1346.00 NIST
I 1352.00 NIST
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I 1341.00 NIST
I 1344.00 NIST
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I 1336.00 NIST
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I 1347.00 NIST
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I 1342.00 NIST
I 1330.00 NIST
I 1325.00 NIST
Tboil [446.40; 446.40] K Show Hide
Tboil 446.40 ± 0.50 K NIST
Tboil 446.40 ± 0.50 K NIST
Tc 627.87 K Joback Calculated Property
Tfus 210.81 K Joback Calculated Property
Vc 0.470 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [239.66; 305.60] J/mol×K [440.35; 627.87] Show Hide
Cp,gas 239.66 J/mol×K 440.35 Joback Calculated Property
Cp,gas 252.05 J/mol×K 471.60 Joback Calculated Property
Cp,gas 263.86 J/mol×K 502.86 Joback Calculated Property
Cp,gas 275.09 J/mol×K 534.11 Joback Calculated Property
Cp,gas 285.78 J/mol×K 565.36 Joback Calculated Property
Cp,gas 295.94 J/mol×K 596.61 Joback Calculated Property
Cp,gas 305.60 J/mol×K 627.87 Joback Calculated Property
Cp,liquid [267.90; 268.80] J/mol×K [298.35; 298.35] Show Hide
Cp,liquid 268.80 J/mol×K 298.35 NIST
Cp,liquid 267.90 J/mol×K 298.35 NIST
ΔvapH [44.70; 45.90] kJ/mol [378.50; 389.50] Show Hide
ΔvapH 45.90 kJ/mol 378.50 NIST
ΔvapH 44.70 ± 0.20 kJ/mol 389.50 NIST
Pvap [0.05; 1.02] kPa [283.85; 327.36] Show Hide
Pvap 0.05 kPa 283.85 Vapor p...
Pvap 0.05 kPa 283.86 Vapor p...
Pvap 0.05 kPa 283.86 Vapor p...
Pvap 0.05 kPa 283.92 Vapor p...
Pvap 0.07 kPa 286.18 Vapor p...
Pvap 0.07 kPa 286.23 Vapor p...
Pvap 0.07 kPa 286.24 Vapor p...
Pvap 0.08 kPa 288.57 Vapor p...
Pvap 0.08 kPa 288.59 Vapor p...
Pvap 0.08 kPa 288.61 Vapor p...
Pvap 0.08 kPa 288.69 Vapor p...
Pvap 0.09 kPa 290.97 Vapor p...
Pvap 0.10 kPa 291.00 Vapor p...
Pvap 0.10 kPa 291.02 Vapor p...
Pvap 0.11 kPa 293.47 Vapor p...
Pvap 0.11 kPa 293.49 Vapor p...
Pvap 0.14 kPa 295.81 Vapor p...
Pvap 0.14 kPa 295.85 Vapor p...
Pvap 0.14 kPa 295.88 Vapor p...
Pvap 0.16 kPa 298.28 Vapor p...
Pvap 0.16 kPa 298.31 Vapor p...
Pvap 0.19 kPa 300.61 Vapor p...
Pvap 0.19 kPa 300.65 Vapor p...
Pvap 0.19 kPa 300.69 Vapor p...
Pvap 0.23 kPa 303.12 Vapor p...
Pvap 0.23 kPa 303.15 Vapor p...
Pvap 0.27 kPa 305.45 Vapor p...
Pvap 0.27 kPa 305.48 Vapor p...
Pvap 0.27 kPa 305.54 Vapor p...
Pvap 0.31 kPa 307.99 Vapor p...
Pvap 0.31 kPa 308.02 Vapor p...
Pvap 0.36 kPa 310.30 Vapor p...
Pvap 0.37 kPa 310.36 Vapor p...
Pvap 0.37 kPa 310.42 Vapor p...
Pvap 0.43 kPa 312.88 Vapor p...
Pvap 0.43 kPa 312.90 Vapor p...
Pvap 0.49 kPa 315.16 Vapor p...
Pvap 0.50 kPa 315.23 Vapor p...
Pvap 0.50 kPa 315.28 Vapor p...
Pvap 0.58 kPa 317.72 Vapor p...
Pvap 0.58 kPa 317.75 Vapor p...
Pvap 0.67 kPa 320.01 Vapor p...
Pvap 0.67 kPa 320.07 Vapor p...
Pvap 0.67 kPa 320.13 Vapor p...
Pvap 0.77 kPa 322.50 Vapor p...
Pvap 0.77 kPa 322.52 Vapor p...
Pvap 0.77 kPa 322.56 Vapor p...
Pvap 0.88 kPa 324.84 Vapor p...
Pvap 0.89 kPa 324.89 Vapor p...
Pvap 0.89 kPa 324.93 Vapor p...
Pvap 1.01 kPa 327.28 Vapor p...
Pvap 1.01 kPa 327.32 Vapor p...
Pvap 1.02 kPa 327.36 Vapor p...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 346.20 K 2.40 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [323.92; 499.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.27910e+01
Coefficient B-3.26990e+03
Coefficient C-6.24000e+01
Temperature range, min.323.92
Temperature range, max.499.58
Pvap 1.33 kPa 323.92 Calculated Property
Pvap 3.18 kPa 343.44 Calculated Property
Pvap 6.76 kPa 362.96 Calculated Property
Pvap 13.13 kPa 382.47 Calculated Property
Pvap 23.62 kPa 401.99 Calculated Property
Pvap 39.86 kPa 421.51 Calculated Property
Pvap 63.74 kPa 441.03 Calculated Property
Pvap 97.34 kPa 460.54 Calculated Property
Pvap 142.88 kPa 480.06 Calculated Property
Pvap 202.65 kPa 499.58 Calculated Property

Similar Compounds

5-Hepten-2-one. (Z)-5-octen-2-one. (E)-5-octen-2-one. Methyloctenone. 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-. 5,9-Undecadien-2-one, 6,10-dimethyl-. 5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)-. 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-. 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-. 5-Nonen-2-one. 3-Methyl-3-cyclohexen-1-one. 6-Methyl-5-octen-2-one. (5Z,8E,11Z)-tetradecatrien-2-one. (5E,8Z,11Z)-tetradecatrien-2-one. (5Z,8E,11E)-tetradecatrien-2-one.

Find more compounds similar to 5-Hepten-2-one, 6-methyl-.

Mixtures

Sources

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