Chemical Properties of 2-Heptenal, (E)- (CAS 18829-55-5)

2-Heptenal, (E)-

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InChI
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChI Key
NDFKTBCGKNOHPJ-AATRIKPKSA-N
Formula
C7H12O
SMILES
CCCCC=CC=O
Molecular Weight1
112.17
CAS
18829-55-5
Other Names
  • (E)-2-Hepten-1-al
  • (E)-2-Heptenal
  • n-Hept-trans-2-enal
  • trans-2-Heptenal
  • Hept-trans-2-enal
  • 2-trans-Heptenal
  • trans-2-Hepten-1-al
  • «beta»-Butylacrolein
  • 3-Butylacrolein
  • (2E)-2-Heptenal
  • (2E)-Heptenal
  • (E)-hept-2-enal
  • Hept-2(E)-enal
  • Hept-(E)-2-enal
  • 2-Heptenal, (2E)-
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Physical Properties

Property Value Unit Source
Δf -11.24 kJ/mol Joback Calculated Property
Δfgas -156.17 kJ/mol Joback Calculated Property
Δfus 16.38 kJ/mol Joback Calculated Property
Δvap 37.85 kJ/mol Joback Calculated Property
log10WS -1.89 Crippen Calculated Property
logPoct/wat 1.932 Crippen Calculated Property
McVol 106.760 ml/mol McGowan Calculated Property
Pc 3213.68 kPa Joback Calculated Property
Inp [923.00; 978.00]   Show Hide
Inp 927.00 NIST
Inp 929.00 NIST
Inp 952.00 NIST
Inp 941.00 NIST
Inp 941.00 NIST
Inp 957.00 NIST
Inp 959.00 NIST
Inp 960.00 NIST
Inp 978.00 NIST
Inp 942.00 NIST
Inp 967.00 NIST
Inp 961.00 NIST
Inp 956.00 NIST
Inp 957.00 NIST
Inp 954.00 NIST
Inp 927.00 NIST
Inp 926.00 NIST
Inp 931.00 NIST
Inp 978.00 NIST
Inp 978.00 NIST
Inp 978.00 NIST
Inp 975.00 NIST
Inp 962.00 NIST
Inp 964.00 NIST
Inp 930.00 NIST
Inp 957.00 NIST
Inp 930.00 NIST
Inp 958.00 NIST
Inp 937.00 NIST
Inp 970.00 NIST
Inp 923.00 NIST
Inp 932.00 NIST
Inp 931.00 NIST
Inp 953.00 NIST
Inp 954.00 NIST
Inp 960.00 NIST
Inp 940.00 NIST
Inp 955.00 NIST
Inp 962.00 NIST
Inp 970.00 NIST
Inp 968.00 NIST
Inp 972.00 NIST
Inp 930.00 NIST
Inp 954.00 NIST
Inp 957.00 NIST
Inp 956.00 NIST
Inp 957.00 NIST
Inp 951.00 NIST
Inp 960.00 NIST
Inp 925.00 NIST
Inp 956.00 NIST
Inp 953.00 NIST
Inp 955.00 NIST
Inp 934.00 NIST
Inp 964.00 NIST
Inp 962.00 NIST
Inp 956.00 NIST
Inp 956.00 NIST
Inp 958.00 NIST
Inp 954.00 NIST
Inp 931.00 NIST
Inp 952.00 NIST
Inp 956.00 NIST
Inp 959.00 NIST
Inp 960.00 NIST
Inp 960.00 NIST
Inp 955.00 NIST
Inp 956.00 NIST
Inp 953.00 NIST
Inp 964.00 NIST
Inp 954.00 NIST
Inp 953.00 NIST
Inp 929.00 NIST
Inp 931.00 NIST
Inp 934.00 NIST
Inp 961.00 NIST
Inp 958.00 NIST
Inp 924.00 NIST
Inp 927.00 NIST
Inp 953.00 NIST
Inp 961.00 NIST
Inp 963.00 NIST
Inp 927.00 NIST
Inp 927.00 NIST
Inp 927.00 NIST
Inp 927.00 NIST
Inp 927.00 NIST
Inp 931.00 NIST
Inp 932.00 NIST
Inp 928.00 NIST
Inp 929.00 NIST
Inp 970.00 NIST
Inp 956.00 NIST
Inp 947.00 NIST
Inp 957.00 NIST
Inp 961.00 NIST
Inp 957.00 NIST
Inp 958.00 NIST
Inp 934.00 NIST
Inp 940.00 NIST
Inp 967.00 NIST
Inp 958.00 NIST
Inp 961.00 NIST
Inp 960.00 NIST
Inp 946.00 NIST
Inp 927.00 NIST
Inp 970.00 NIST
Inp 957.00 NIST
Inp 958.00 NIST
Inp 954.00 NIST
Inp 960.00 NIST
Inp 934.00 NIST
Inp 959.00 NIST
Inp 953.00 NIST
Inp 931.00 NIST
Inp 927.00 NIST
Inp 932.00 NIST
Inp 967.00 NIST
Inp 978.00 NIST
Inp 923.00 NIST
I [1273.00; 1366.00]   Show Hide
I 1318.00 NIST
I 1332.00 NIST
I 1292.00 NIST
I 1332.00 NIST
I 1309.00 NIST
I 1335.00 NIST
I 1334.00 NIST
I 1334.00 NIST
I 1334.00 NIST
I 1306.00 NIST
I 1309.00 NIST
I 1334.00 NIST
I 1309.00 NIST
I 1336.00 NIST
I 1314.00 NIST
I 1326.00 NIST
I 1342.00 NIST
I 1338.00 NIST
I 1336.00 NIST
I 1320.00 NIST
I 1291.00 NIST
I Outlier 1273.00 NIST
I 1317.00 NIST
I Outlier 1286.00 NIST
I 1323.00 NIST
I 1320.00 NIST
I 1328.00 NIST
I 1323.00 NIST
I 1330.00 NIST
I 1342.00 NIST
I 1339.00 NIST
I 1336.00 NIST
I 1339.00 NIST
I 1313.00 NIST
I 1346.00 NIST
I 1332.00 NIST
I 1333.00 NIST
I 1328.00 NIST
I 1324.00 NIST
I 1309.00 NIST
I Outlier 1280.00 NIST
I Outlier 1361.00 NIST
I Outlier 1362.00 NIST
I Outlier 1366.00 NIST
I 1297.00 NIST
I 1297.00 NIST
I 1336.00 NIST
I 1328.00 NIST
I 1309.00 NIST
I 1320.00 NIST
I 1321.00 NIST
I 1321.00 NIST
I 1313.00 NIST
I 1332.00 NIST
I 1321.00 NIST
I 1321.00 NIST
I 1314.00 NIST
I 1317.00 NIST
I 1303.00 NIST
I 1314.00 NIST
I 1317.00 NIST
I 1320.00 NIST
I 1320.00 NIST
I 1321.00 NIST
I 1323.00 NIST
I 1313.00 NIST
I 1315.00 NIST
I 1313.00 NIST
I 1315.00 NIST
I Outlier 1286.00 NIST
I 1314.00 NIST
I 1330.00 NIST
I 1330.00 NIST
I 1334.00 NIST
I 1334.00 NIST
I 1315.00 NIST
I 1329.00 NIST
I 1334.00 NIST
I 1339.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1335.00 NIST
I 1320.00 NIST
I Outlier 1287.00 NIST
I 1316.00 NIST
I 1315.00 NIST
I 1328.00 NIST
I 1312.00 NIST
I 1310.00 NIST
I 1335.00 NIST
I 1320.00 NIST
I 1313.00 NIST
I 1324.00 NIST
I Outlier 1366.00 NIST
I 1309.00 NIST
I 1332.00 NIST
I 1303.00 NIST
I 1321.00 NIST
I 1315.00 NIST
Tboil 412.38 K Joback Calculated Property
Tc 592.75 K Joback Calculated Property
Tfus 205.57 K Joback Calculated Property
Vc 0.424 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.75; 258.96] J/mol×K [412.38; 592.75] Show Hide
Cp,gas 201.75 J/mol×K 412.38 Joback Calculated Property
Cp,gas 212.47 J/mol×K 442.44 Joback Calculated Property
Cp,gas 222.70 J/mol×K 472.50 Joback Calculated Property
Cp,gas 232.44 J/mol×K 502.57 Joback Calculated Property
Cp,gas 241.72 J/mol×K 532.63 Joback Calculated Property
Cp,gas 250.55 J/mol×K 562.69 Joback Calculated Property
Cp,gas 258.96 J/mol×K 592.75 Joback Calculated Property
η [0.0002654; 0.0042661] Pa×s [205.57; 412.38] Show Hide
η 0.0042661 Pa×s 205.57 Joback Calculated Property
η 0.0019261 Pa×s 240.04 Joback Calculated Property
η 0.0010618 Pa×s 274.51 Joback Calculated Property
η 0.0006685 Pa×s 308.98 Joback Calculated Property
η 0.0004619 Pa×s 343.44 Joback Calculated Property
η 0.0003414 Pa×s 377.91 Joback Calculated Property
η 0.0002654 Pa×s 412.38 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 363.70 K 6.70 NIST

Similar Compounds

2-Heptenal, (Z)-. 2-Heptenal. [2,3-2H2]-(E)-2-Octenal. 2-Octenal, (E)-. (Z)-2-octenal. 2-Octenal. 2-Nonenal, (Z)-. 2-Nonenal, (E)-. 2-Nonenal. 2-Dodecenal, (E)-. 2-Undecenal, E-. 2-Tridecenal, (E)-. (E)-2-pentadecenal. 2-Decenal, (E)-. (E)-2-tetradecenal.

Find more compounds similar to 2-Heptenal, (E)-.

Sources

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