Chemical Properties of 2-Hexenal, (E)- (CAS 6728-26-3)

2-Hexenal, (E)-

InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChI Key
MBDOYVRWFFCFHM-SNAWJCMRSA-N
Formula
C6H10O
SMILES
CCC/C=C/C=O
Molecular Weight1
98.14
CAS
6728-26-3
Other Names
  • (2E)-2-Hexenal
  • (E)-2-Hexanal
  • (E)-2-Hexen-1-al
  • (E)-2-hexenal
  • (E)-Hex-2-en-1-al
  • (E)-Hex-2-enal
  • 2-(E)-Hexenal
  • 2-Hexenal, (2E)-
  • 2-trans-Hexenal
  • Hex-2(E)-enal
  • Hex-trans-2-enal
  • Leaf aldehyde
  • n-Hex-trans-2-enal
  • t-2-Hexenal
  • trans-2-Hexen-1-al
  • trans-2-hexenal
  • trans-Hex-2-enal
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Physical Properties

Property Value Unit Source
ω 0.3357 Relay (1.0) Calculated Property
ΔfG° -19.66 kJ/mol Joback Calculated Property
ΔfH°gas -148.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.79 kJ/mol Joback Calculated Property
ΔvapH° 45.32 kJ/mol Relay (1.0) Calculated Property
IE 9.67 eV Relay (1.0) Calculated Property
log10WS -1.31 Relay (1.0) Calculated Property
logPoct/wat 1.542 Crippen Calculated Property
McVol 92.670 ml/mol McGowan Calculated Property
Pc 3594.25 kPa Joback Calculated Property
Inp [815.00; 881.00]   Show Hide
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Tboil [419.70; 420.70] K Show Hide
Tboil 420.70 K Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil 419.70 K NIST
Tc 612.90 K Relay (1.0) Calculated Property
Tfus 176.65 K Relay (1.0) Calculated Property
Vc 0.343 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil(P) [373.50; 446.20] K [24.50; 190.00] Show Hide
Tboil(P) 373.50 K 24.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 383.00 K 34.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 390.40 K 43.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 396.90 K 53.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 402.60 K 62.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 407.70 K 72.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 412.00 K 81.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 416.10 K 91.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 423.80 K 110.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 427.10 K 119.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 430.30 K 129.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 433.10 K 138.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 435.90 K 148.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 438.40 K 157.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 441.00 K 167.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 443.40 K 176.50 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 445.40 K 186.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboil(P) 446.20 K 190.00 Vapor pressure data for ethyl-2-methylbutyrate, hexanal and (E)-2-hexenal at a pressure range of (25 to 190) kPa
Tboilr [316.20; 320.20] K [1.60; 2.30] Show Hide
Tboilr 316.20 K 1.60 NIST
Tboilr 320.20 K 2.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [123.67; 289.07] 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-5.34800e+00
Coefficient B5.68320e-01
Coefficient C-3.79400e-04
Coefficient D1.05500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 123.67 J/mol×K 273.00 Calculated Property
Cp,gas 152.90 J/mol×K 353.78 Calculated Property
Cp,gas 178.63 J/mol×K 434.56 Calculated Property
Cp,gas 201.21 J/mol×K 515.33 Calculated Property
Cp,gas 220.96 J/mol×K 596.11 Calculated Property
Cp,gas 238.23 J/mol×K 676.89 Calculated Property
Cp,gas 253.34 J/mol×K 757.67 Calculated Property
Cp,gas 266.63 J/mol×K 838.44 Calculated Property
Cp,gas 278.43 J/mol×K 919.22 Calculated Property
Cp,gas 289.07 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0038680; 0.0002441] Pa×s [194.30; 399.87] 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-1.09296e+01
Coefficient B1.04427e+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.194.30
Temperature range, max.399.87
η 0.0038680 Pa×s 194.30 Calculated Property
η 0.0021976 Pa×s 217.14 Calculated Property
η 0.0013905 Pa×s 239.98 Calculated Property
η 0.0009526 Pa×s 262.82 Calculated Property
η 0.0006933 Pa×s 285.67 Calculated Property
η 0.0005289 Pa×s 308.51 Calculated Property
η 0.0004189 Pa×s 331.35 Calculated Property
η 0.0003418 Pa×s 354.19 Calculated Property
η 0.0002859 Pa×s 377.03 Calculated Property
η 0.0002441 Pa×s 399.87 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [312.72; 445.76] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.49374e+01
Coefficient B-3.73435e+03
Coefficient C-5.78130e+01
Temperature range, min.312.72
Temperature range, max.445.76
Pvap 1.33 kPa 312.72 Calculated Property
Pvap 2.98 kPa 327.50 Calculated Property
Pvap 6.11 kPa 342.28 Calculated Property
Pvap 11.69 kPa 357.07 Calculated Property
Pvap 21.03 kPa 371.85 Calculated Property
Pvap 35.89 kPa 386.63 Calculated Property
Pvap 58.51 kPa 401.41 Calculated Property
Pvap 91.60 kPa 416.20 Calculated Property
Pvap 138.40 kPa 430.98 Calculated Property
Pvap 202.65 kPa 445.76 Calculated Property

Similar Compounds

(Z)-2-Hexenal. 2E-hexenal-d3. 2-Hexenal. 2-Heptenal. 2-Heptenal, (Z)-. 2-Heptenal, (E)-. 2,6-Nonadienal, (E,E)-. 2,6-Nonadienal, (E,Z)-. 2-Octenal, (E)-. (Z)-2-octenal. [2,3-2H2]-(E)-2-Octenal. 2-Octenal. 3-Hepten-2-one, (E)-. 3-Hepten-2-one. (E)-3-Heptenal.

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

Mixtures

Sources

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