Chemical Properties of 2-Octenal, (E)- (CAS 2548-87-0)

2-Octenal, (E)-

InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChI Key
LVBXEMGDVWVTGY-VOTSOKGWSA-N
Formula
C8H14O
SMILES
CCCCCC=CC=O
Molecular Weight1
126.20
CAS
2548-87-0
Other Names
  • (E)-2-Octen-1-al
  • (E)-2-Octenal
  • (E)-Oct-2-enal
  • 2-(E)-Octenal
  • Oct-(E)-2-enal
  • Oct-2(E)-enal
  • trans-2-Octen-1-al
  • trans-2-Octenal
  • trans-Oct-2-enal
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Physical Properties

Property Value Unit Source
ω 0.4391 Relay (1.0) Calculated Property
ΔfG° -2.82 kJ/mol Joback Calculated Property
ΔfH°gas -199.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.97 kJ/mol Joback Calculated Property
ΔvapH° 52.95 kJ/mol Relay (1.0) Calculated Property
IE 9.63 eV Relay (1.0) Calculated Property
log10WS -2.29 Relay (1.0) Calculated Property
logPoct/wat 2.322 Crippen Calculated Property
McVol 120.850 ml/mol McGowan Calculated Property
Pc 2890.51 kPa Joback Calculated Property
Inp [1025.00; 1076.00]   Show Hide
Inp 1030.00 NIST
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Inp 1073.00 NIST
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Inp 1049.00 NIST
Inp 1063.00 NIST
Inp 1056.70 NIST
Inp 1052.00 NIST
Inp Outlier 1025.00 NIST
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Inp 1064.00 NIST
Inp 1034.00 NIST
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Inp 1070.00 NIST
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Inp 1045.00 NIST
Inp 1031.00 NIST
Inp 1064.00 NIST
Inp 1064.00 NIST
Inp 1064.00 NIST
Inp 1056.00 NIST
Inp 1058.20 NIST
Inp 1076.00 NIST
Inp 1063.00 NIST
Inp 1060.00 NIST
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Inp 1032.00 NIST
Inp 1045.00 NIST
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Inp 1063.00 NIST
Inp 1056.00 NIST
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Inp 1030.00 NIST
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Inp 1044.00 NIST
Inp 1057.00 NIST
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Inp 1063.00 NIST
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Inp 1073.00 NIST
Inp 1063.00 NIST
Inp 1031.00 NIST
Inp 1059.00 NIST
Inp 1056.00 NIST
Inp 1062.00 NIST
Inp Outlier 1025.00 NIST
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Inp 1058.00 NIST
Inp 1056.00 NIST
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Inp 1062.00 NIST
Inp 1037.00 NIST
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Inp 1033.00 NIST
Inp 1059.00 NIST
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Inp 1059.00 NIST
Inp 1033.00 NIST
Inp 1060.00 NIST
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Inp 1058.00 NIST
Inp 1060.00 NIST
Inp 1061.00 NIST
Inp 1055.00 NIST
Inp 1071.00 NIST
Inp 1032.00 NIST
Inp 1043.00 NIST
Inp 1064.00 NIST
Inp 1042.00 NIST
Inp 1062.00 NIST
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Inp 1043.00 NIST
Inp 1055.00 NIST
Inp 1071.00 NIST
Inp 1055.00 NIST
Inp 1058.00 NIST
Inp 1067.00 NIST
Inp 1055.00 NIST
Inp 1066.00 NIST
Inp 1055.00 NIST
Inp 1062.00 NIST
Inp 1063.00 NIST
Inp 1057.00 NIST
Inp 1057.00 NIST
Inp 1059.00 NIST
Inp 1044.00 NIST
Inp 1057.00 NIST
Inp 1064.00 NIST
Inp 1056.00 NIST
Inp 1063.00 NIST
Inp 1060.00 NIST
Inp 1060.00 NIST
Inp 1045.00 NIST
Inp 1056.00 NIST
Inp 1071.00 NIST
Inp 1054.00 NIST
Inp 1060.00 NIST
Inp 1060.00 NIST
Inp 1062.00 NIST
Inp 1058.00 NIST
Inp 1055.00 NIST
Inp 1057.00 NIST
Inp 1064.00 NIST
Inp 1045.00 NIST
Inp 1060.00 NIST
Inp 1063.00 NIST
Inp Outlier 1025.00 NIST
Inp 1062.00 NIST
Inp 1033.00 NIST
Inp 1054.00 NIST
Inp 1042.00 NIST
Inp 1035.00 NIST
Ip [1392.00; 1468.00]   Show Hide
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Ip Outlier 1467.30 NIST
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Ip 1400.00 NIST
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Ip 1433.00 NIST
Ip 1426.00 NIST
Ip Outlier 1393.00 NIST
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Ip Outlier 1466.00 NIST
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Ip Outlier 1464.00 NIST
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Ip Outlier 1396.00 NIST
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Ip Outlier 1463.00 NIST
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Ip 1419.00 NIST
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Ip 1437.00 NIST
Ip 1407.00 NIST
Ip 1430.00 NIST
Ip Outlier 1467.00 NIST
Ip 1424.00 NIST
Ip 1433.00 NIST
Tboil 446.97 K Relay (1.0) Calculated Property
Tc 648.81 K Relay (1.0) Calculated Property
Tfus 208.72 K Relay (1.0) Calculated Property
Vc 0.451 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 358.20 K 2.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [166.10; 392.25] 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-7.16600e+00
Coefficient B7.58320e-01
Coefficient C-4.88200e-04
Coefficient D1.29300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 166.10 J/mol×K 273.00 Calculated Property
Cp,gas 205.73 J/mol×K 353.78 Calculated Property
Cp,gas 240.79 J/mol×K 434.56 Calculated Property
Cp,gas 271.67 J/mol×K 515.33 Calculated Property
Cp,gas 298.79 J/mol×K 596.11 Calculated Property
Cp,gas 322.55 J/mol×K 676.89 Calculated Property
Cp,gas 343.37 J/mol×K 757.67 Calculated Property
Cp,gas 361.66 J/mol×K 838.44 Calculated Property
Cp,gas 377.81 J/mol×K 919.22 Calculated Property
Cp,gas 392.25 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0045537; 0.0002716] Pa×s [216.84; 430.24] 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-1.10761e+01
Coefficient B1.23259e+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.216.84
Temperature range, max.430.24
η 0.0045537 Pa×s 216.84 Calculated Property
η 0.0026004 Pa×s 240.55 Calculated Property
η 0.0016420 Pa×s 264.26 Calculated Property
η 0.0011184 Pa×s 287.97 Calculated Property
η 0.0008075 Pa×s 311.68 Calculated Property
η 0.0006106 Pa×s 335.39 Calculated Property
η 0.0004790 Pa×s 359.10 Calculated Property
η 0.0003873 Pa×s 382.81 Calculated Property
η 0.0003210 Pa×s 406.53 Calculated Property
η 0.0002716 Pa×s 430.24 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [344.32; 484.85] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.51611e+01
Coefficient B-4.09803e+03
Coefficient C-6.87940e+01
Temperature range, min.344.32
Temperature range, max.484.85
Pvap 1.33 kPa 344.32 Calculated Property
Pvap 2.96 kPa 359.93 Calculated Property
Pvap 6.06 kPa 375.55 Calculated Property
Pvap 11.58 kPa 391.16 Calculated Property
Pvap 20.82 kPa 406.78 Calculated Property
Pvap 35.57 kPa 422.39 Calculated Property
Pvap 58.07 kPa 438.01 Calculated Property
Pvap 91.11 kPa 453.62 Calculated Property
Pvap 138.01 kPa 469.24 Calculated Property
Pvap 202.63 kPa 484.85 Calculated Property

Similar Compounds

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

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

Sources

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