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

2-Heptenal, (E)-

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
ω 0.3909 Relay (1.0) Calculated Property
ΔfG° -11.24 kJ/mol Joback Calculated Property
ΔfH°gas -177.35 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.38 kJ/mol Joback Calculated Property
ΔvapH° 48.19 kJ/mol Relay (1.0) Calculated Property
IE 9.64 eV Relay (1.0) Calculated Property
log10WS -1.70 Relay (1.0) 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
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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
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Inp 964.00 NIST
Inp 930.00 NIST
Inp 957.00 NIST
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Inp 970.00 NIST
Inp 923.00 NIST
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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 957.00 NIST
Inp 967.00 NIST
Inp 927.00 NIST
Inp 978.00 NIST
Inp 923.00 NIST
Inp 970.00 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 932.00 NIST
Ip [1273.00; 1366.00]   Show Hide
Ip 1318.00 NIST
Ip 1332.00 NIST
Ip 1292.00 NIST
Ip 1332.00 NIST
Ip 1309.00 NIST
Ip 1335.00 NIST
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Ip 1334.00 NIST
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Ip 1326.00 NIST
Ip 1342.00 NIST
Ip 1338.00 NIST
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Ip 1320.00 NIST
Ip 1291.00 NIST
Ip Outlier 1273.00 NIST
Ip 1317.00 NIST
Ip Outlier 1286.00 NIST
Ip 1323.00 NIST
Ip 1320.00 NIST
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Ip 1323.00 NIST
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Ip 1342.00 NIST
Ip 1339.00 NIST
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Ip 1339.00 NIST
Ip 1313.00 NIST
Ip 1346.00 NIST
Ip 1332.00 NIST
Ip 1333.00 NIST
Ip 1328.00 NIST
Ip 1324.00 NIST
Ip 1309.00 NIST
Ip Outlier 1280.00 NIST
Ip Outlier 1361.00 NIST
Ip Outlier 1362.00 NIST
Ip Outlier 1366.00 NIST
Ip 1297.00 NIST
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Ip 1315.00 NIST
Ip Outlier 1286.00 NIST
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Ip 1335.00 NIST
Ip 1335.00 NIST
Ip 1335.00 NIST
Ip 1335.00 NIST
Ip 1335.00 NIST
Ip 1335.00 NIST
Ip 1320.00 NIST
Ip Outlier 1287.00 NIST
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Ip 1328.00 NIST
Ip 1312.00 NIST
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Ip 1335.00 NIST
Ip 1320.00 NIST
Ip 1313.00 NIST
Ip 1324.00 NIST
Ip Outlier 1366.00 NIST
Ip 1309.00 NIST
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Tboil 427.87 K Relay (1.0) Calculated Property
Tc 623.79 K Relay (1.0) Calculated Property
Tfus 187.61 K Relay (1.0) Calculated Property
Vc 0.397 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [144.89; 340.66] 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 A-6.25700e+00
Coefficient B6.63320e-01
Coefficient C-4.33800e-04
Coefficient D1.17400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 144.89 J/mol×K 273.00 Calculated Property
Cp,gas 179.32 J/mol×K 353.78 Calculated Property
Cp,gas 209.71 J/mol×K 434.56 Calculated Property
Cp,gas 236.44 J/mol×K 515.33 Calculated Property
Cp,gas 259.87 J/mol×K 596.11 Calculated Property
Cp,gas 280.39 J/mol×K 676.89 Calculated Property
Cp,gas 298.35 J/mol×K 757.67 Calculated Property
Cp,gas 314.14 J/mol×K 838.44 Calculated Property
Cp,gas 328.12 J/mol×K 919.22 Calculated Property
Cp,gas 340.66 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0042661; 0.0002606] Pa×s [205.57; 415.13] 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-1.09950e+01
Coefficient B1.13843e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.205.57
Temperature range, max.415.13
η 0.0042661 Pa×s 205.57 Calculated Property
η 0.0024285 Pa×s 228.85 Calculated Property
η 0.0015340 Pa×s 252.14 Calculated Property
η 0.0010473 Pa×s 275.42 Calculated Property
η 0.0007588 Pa×s 298.71 Calculated Property
η 0.0005760 Pa×s 321.99 Calculated Property
η 0.0004538 Pa×s 345.28 Calculated Property
η 0.0003685 Pa×s 368.56 Calculated Property
η 0.0003067 Pa×s 391.84 Calculated Property
η 0.0002606 Pa×s 415.13 Calculated Property

Similar Compounds

2-Heptenal. 2-Heptenal, (Z)-. 2-Octenal, (E)-. 2-Octenal. [2,3-2H2]-(E)-2-Octenal. (Z)-2-octenal. 2-Nonenal. 2-Nonenal, (Z)-. 2-Nonenal, (E)-. (E)-2-pentadecenal. 2-Hexadecen-1-al. 2-Dodecenal, (E)-. 2-Decenal, (Z)-. 2-tetradecenal. 2-Tridecenal, (E)-.

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

Sources

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