Chemical Properties of 2-Butenal, 2-methyl-, (E)- (CAS 497-03-0)

2-Butenal, 2-methyl-, (E)-

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InChI
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
InChI Key
ACWQBUSCFPJUPN-HYXAFXHYSA-N
Formula
C5H8O
SMILES
CC=C(C)C=O
Molecular Weight1
84.12
CAS
497-03-0
Other Names
  • (2E)-2-Methyl-2-butenal
  • (E)-2-Methylbut-2-enal
  • 2-Butenal, 2-methyl-, (2E)-
  • 2-Methyl-(E)-2-butenal
  • 2-Methyl-2(E)-butenal
  • 2-Methyl-2-butenal, (E)
  • 2-Methyl-2-butenal, trans
  • 2-Methylbut-(E)-2-enal
  • Crotonaldehyde, 2-methyl-, (E)-
  • E-2-Methyl-2-butenal
  • NSC 2179
  • Tiglaldehyde
  • Tiglaldehyde (2-Methyl-2-butenal)
  • Tiglic acid aldehyde
  • Tiglic aldehyde
  • trans-2-Methyl-2-butenal
  • trans-Tiglaldehyde
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Physical Properties

Property Value Unit Source
Δcliquid -2879.00 kJ/mol NIST
Δf -36.63 kJ/mol Joback Calculated Property
Δfgas -124.68 kJ/mol Joback Calculated Property
Δfus 9.89 kJ/mol Joback Calculated Property
Δvap 33.48 kJ/mol Joback Calculated Property
IE 9.60 eV NIST
log10WS -1.05 Crippen Calculated Property
logPoct/wat 1.151 Crippen Calculated Property
McVol 78.580 ml/mol McGowan Calculated Property
Pc 4072.51 kPa Joback Calculated Property
Inp [715.00; 763.00]   Show Hide
Inp 745.00 NIST
Inp 739.00 NIST
Inp 755.00 NIST
Inp 724.00 NIST
Inp 745.00 NIST
Inp 763.00 NIST
Inp 715.00 NIST
Inp 738.00 NIST
Inp 737.00 NIST
Inp 749.00 NIST
Inp 715.00 NIST
Inp 738.00 NIST
Inp 745.00 NIST
I [1069.00; 1113.00]   Show Hide
I 1082.00 NIST
I 1107.00 NIST
I 1113.00 NIST
I 1113.00 NIST
I 1069.00 NIST
I 1082.00 NIST
I 1113.00 NIST
I 1096.00 NIST
I 1096.00 NIST
I 1101.00 NIST
I 1097.00 NIST
I 1088.00 NIST
I 1074.00 NIST
I 1075.00 NIST
I 1098.00 NIST
I 1104.00 NIST
I 1094.00 NIST
I 1091.00 NIST
I 1076.00 NIST
I 1082.00 NIST
I 1082.00 NIST
I 1069.00 NIST
I 1104.00 NIST
I 1084.00 NIST
I 1092.00 NIST
I 1090.00 NIST
I 1098.00 NIST
I 1094.00 NIST
I 1092.00 NIST
I 1076.00 NIST
I 1084.00 NIST
I 1082.00 NIST
I 1097.00 NIST
I 1104.00 NIST
I 1098.00 NIST
Tboil 366.50 K Joback Calculated Property
Tc 552.54 K Joback Calculated Property
Tfus 169.07 K Joback Calculated Property
Vc 0.314 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [130.05; 173.52] J/mol×K [366.50; 552.54] Show Hide
Cp,gas 130.05 J/mol×K 366.50 Joback Calculated Property
Cp,gas 138.26 J/mol×K 397.51 Joback Calculated Property
Cp,gas 146.07 J/mol×K 428.51 Joback Calculated Property
Cp,gas 153.48 J/mol×K 459.52 Joback Calculated Property
Cp,gas 160.51 J/mol×K 490.53 Joback Calculated Property
Cp,gas 167.19 J/mol×K 521.53 Joback Calculated Property
Cp,gas 173.52 J/mol×K 552.54 Joback Calculated Property
ΔvapH 39.20 kJ/mol 319.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [337.20; 390.70] K [15.90; 100.00] Show Hide
Tboilr 337.20 K 15.90 NIST
Tboilr 390.70 K 100.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [289.52; 415.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48810e+01
Coefficient B-3.49905e+03
Coefficient C-4.97510e+01
Temperature range, min.289.52
Temperature range, max.415.40
Pvap 1.33 kPa 289.52 Calculated Property
Pvap 2.98 kPa 303.51 Calculated Property
Pvap 6.12 kPa 317.49 Calculated Property
Pvap 11.72 kPa 331.48 Calculated Property
Pvap 21.08 kPa 345.47 Calculated Property
Pvap 35.98 kPa 359.45 Calculated Property
Pvap 58.62 kPa 373.44 Calculated Property
Pvap 91.73 kPa 387.43 Calculated Property
Pvap 138.51 kPa 401.41 Calculated Property
Pvap 202.67 kPa 415.40 Calculated Property

Similar Compounds

2-Butenal,2-methyl-(Z)-. 2-Butenal, 2-methyl-. 2-methyl-(Z)-2-butenal. 2-Butenal, 3-methyl-. 2-Butene, 2-methyl-. 2-methyl-(E)-2-pentenal. 2-Pentenal, 2-methyl-. 2-Butenal, 2-ethyl-. 2-Ethyl-trans-2-butenal. Methacrolein. 3-Penten-2-one, 3-methyl-. Z-3-Chloro-2-methyl-but-2-enal. E-3-Chloro-2-methyl-but-2-enal. 2-Butenal, 2-ethenyl-. (E)-2-Methyl-2-butenoic acid.

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

Sources

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