Chemical Properties of 2-Butenal, (E)- (CAS 123-73-9)

2-Butenal, (E)-

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InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChI Key
MLUCVPSAIODCQM-NSCUHMNNSA-N
Formula
C4H6O
SMILES
CC=CC=O
Molecular Weight1
70.09
CAS
123-73-9
Other Names
  • (E)-2-Butenal
  • (E)-But-2-enal
  • (E)-Crotonaldehyde
  • 2-Butenal, (2E)-
  • Aldehyde crotonique
  • But-(E)-2-enal
  • Crotonal
  • Crotonaldehyde
  • Crotonaldehyde, (E)-
  • E-Crotonic aldehyde
  • E-Crotylaldehyde
  • NCI-C56279
  • Rcra waste number U053
  • Topanel
  • Topanel CA
  • t-2-Butenal
  • trans-2-Butenal
  • trans-Crotonal
  • trans-Crotonaldehyde
  • «beta»-Methyl acrolein, trans
  • «beta»-Methyl acrolein, trans

Physical Properties

Property Value Unit Source
Δf -36.50 kJ/mol Joback Calculated Property
Δfgas -94.25 kJ/mol Joback Calculated Property
Δfus 8.61 kJ/mol Joback Calculated Property
Δvap 31.18 kJ/mol Joback Calculated Property
IE 9.73 eV NIST
log10WS -0.63 Crippen Calculated Property
logPoct/wat 0.761 Crippen Calculated Property
McVol 64.490 ml/mol McGowan Calculated Property
Pc 4590.15 kPa Joback Calculated Property
Inp [615.00; 665.00]   Show Hide
Inp 645.00 NIST
Inp 648.00 NIST
Inp 624.00 NIST
Inp 645.00 NIST
Inp 644.00 NIST
Inp 658.00 NIST
Inp 665.00 NIST
Inp 619.00 NIST
Inp 624.00 NIST
Inp 657.00 NIST
Inp 615.00 NIST
Inp 639.00 NIST
Inp 650.00 NIST
Inp 622.00 NIST
Inp 648.00 NIST
Inp 645.00 NIST
I [1002.00; 1084.00]   Show Hide
I 1050.00 NIST
I Outlier 1002.00 NIST
I 1046.00 NIST
I 1046.00 NIST
I 1046.00 NIST
I 1046.00 NIST
I 1034.00 NIST
I 1044.00 NIST
I 1047.00 NIST
I 1043.00 NIST
I 1036.00 NIST
I 1056.00 NIST
I 1037.00 NIST
I 1035.00 NIST
I 1033.00 NIST
I 1037.00 NIST
I 1032.00 NIST
I 1012.00 NIST
I 1034.00 NIST
I 1040.00 NIST
I 1050.00 NIST
I Outlier 1084.00 NIST
I 1023.00 NIST
I 1038.00 NIST
I 1035.00 NIST
I 1044.00 NIST
I 1043.00 NIST
Tboil [375.15; 377.70] K Show Hide
Tboil 377.70 K NIST
Tboil 375.35 K NIST
Tboil 375.15 ± 2.00 K NIST
Tc 526.38 K Joback Calculated Property
Tfus [196.55; 198.15] K Show Hide
Tfus 198.15 K NIST
Tfus 196.55 ± 0.20 K NIST
Vc 0.257 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [97.86; 132.55] J/mol×K [343.74; 526.38] Show Hide
Cp,gas 97.86 J/mol×K 343.74 Joback Calculated Property
Cp,gas 104.42 J/mol×K 374.18 Joback Calculated Property
Cp,gas 110.66 J/mol×K 404.62 Joback Calculated Property
Cp,gas 116.57 J/mol×K 435.06 Joback Calculated Property
Cp,gas 122.18 J/mol×K 465.50 Joback Calculated Property
Cp,gas 127.50 J/mol×K 495.94 Joback Calculated Property
Cp,gas 132.55 J/mol×K 526.38 Joback Calculated Property
Cp,liquid [148.60; 148.60] J/mol×K [298.35; 298.35] Show Hide
Cp,liquid 148.60 J/mol×K 298.35 NIST
Cp,liquid 148.60 J/mol×K 298.35 NIST
η [0.0002298; 0.0027814] Pa×s [171.76; 343.74] Show Hide
η 0.0027814 Pa×s 171.76 Joback Calculated Property
η 0.0013638 Pa×s 200.42 Joback Calculated Property
η 0.0007992 Pa×s 229.09 Joback Calculated Property
η 0.0005275 Pa×s 257.75 Joback Calculated Property
η 0.0003783 Pa×s 286.41 Joback Calculated Property
η 0.0002883 Pa×s 315.08 Joback Calculated Property
η 0.0002298 Pa×s 343.74 Joback Calculated Property
ΔvapH [32.10; 36.60] kJ/mol [362.50; 362.50] Show Hide
ΔvapH 36.60 ± 0.10 kJ/mol 362.50 NIST
ΔvapH 34.50 ± 0.20 kJ/mol 362.50 NIST
ΔvapH 32.10 ± 0.50 kJ/mol 362.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [276.89; 402.60] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45589e+01
Coefficient B-3.30226e+03
Coefficient C-4.54980e+01
Temperature range, min.276.89
Temperature range, max.402.60
Pvap 1.33 kPa 276.89 Calculated Property
Pvap 3.00 kPa 290.86 Calculated Property
Pvap 6.20 kPa 304.83 Calculated Property
Pvap 11.89 kPa 318.79 Calculated Property
Pvap 21.40 kPa 332.76 Calculated Property
Pvap 36.46 kPa 346.73 Calculated Property
Pvap 59.27 kPa 360.70 Calculated Property
Pvap 92.45 kPa 374.66 Calculated Property
Pvap 139.08 kPa 388.63 Calculated Property
Pvap 202.65 kPa 402.60 Calculated Property

Similar Compounds

2-Butenal. 2-Butenal, (Z)-. (E)-2-Butene-d8. 2-Butene. 2-Butene, (E)-. 2-Butene, (Z)-. 2-Butenoyl chloride. 2,4-Hexadienal, (E,E)-. (E,E)-2,4-Hexadienal. (E,Z)-2,4-Hexadienal. Hexa-2,4-dienal. 2-Butenoic acid, isomer # 1. Isocrotonic acid. Crotonic acid. 2-Butenoic acid, (E)-.

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

Sources

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

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