Chemical Properties of 2-Butenal (CAS 4170-30-3)

2-Butenal

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InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3
InChI Key
MLUCVPSAIODCQM-UHFFFAOYSA-N
Formula
C4H6O
SMILES
CC=CC=O
Molecular Weight1
70.09
CAS
4170-30-3
Other Names
  • 1-Formylpropene
  • 2-Butenaldehyde
  • BETA-METHYLACROLEIN
  • But-2-enal
  • Crotonal
  • Crotonaldehyde
  • Crotonic aldehyde
  • Crotylaldehyde
  • Krotonaldehyd
  • NSC 56354
  • Propylene aldehyde
  • Rcra waste number U053
  • TRANS-2-BUTENAL
  • UN 1143
  • «beta»-Methylacrolein
  • «beta»-Methylacrolein
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Physical Properties

Property Value Unit Source
PAff 830.80 kJ/mol NIST
BasG 799.00 kJ/mol NIST
Δcliquid [-2287.40; -2284.70] kJ/mol Show Hide
Δcliquid -2284.70 ± 2.30 kJ/mol NIST
Δcliquid -2287.40 ± 0.40 kJ/mol NIST
Δf -36.50 kJ/mol Joback Calculated Property
Δfgas [-109.70; -100.50] kJ/mol Show Hide
Δfgas -109.70 ± 2.40 kJ/mol NIST
Δfgas -106.90 kJ/mol NIST
Δfgas -100.50 ± 1.50 kJ/mol NIST
Δfliquid [-146.90; -138.60] kJ/mol Show Hide
Δfliquid -146.90 ± 2.40 kJ/mol NIST
Δfliquid -144.10 ± 0.40 kJ/mol NIST
Δfliquid -138.60 ± 1.90 kJ/mol NIST
Δfus 8.61 kJ/mol Joback Calculated Property
Δvap [37.20; 38.10] kJ/mol Show Hide
Δvap 37.30 ± 0.40 kJ/mol NIST
Δvap 37.20 kJ/mol NIST
Δvap 37.30 ± 0.40 kJ/mol NIST
Δvap 38.00 ± 0.80 kJ/mol NIST
Δvap 38.10 kJ/mol NIST
IE [9.73; 9.86] eV Show Hide
IE 9.75 eV NIST
IE 9.73 ± 0.01 eV NIST
IE 9.86 ± 0.03 eV NIST
log10WS [0.32; 0.32]   Show Hide
log10WS 0.32 Aq. Sol...
log10WS 0.32 Estimat...
logPoct/wat 0.761 Crippen Calculated Property
McVol 64.490 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 3 KDB
NFPA Safety 2 KDB
Pc 5496.90 ± 1.00 kPa NIST
ρc 293.00 ± 2.80 kg/m3 NIST
Inp [600.00; 657.00]   Show Hide
Inp 627.00 NIST
Inp 623.00 NIST
Inp 624.00 NIST
Inp 626.00 NIST
Inp 615.00 NIST
Inp 621.00 NIST
Inp 631.00 NIST
Inp 619.00 NIST
Inp 630.00 NIST
Inp 647.00 NIST
Inp 632.00 NIST
Inp 645.00 NIST
Inp 618.00 NIST
Inp 657.00 NIST
Inp 657.00 NIST
Inp 627.00 NIST
Inp 640.00 NIST
Inp 623.00 NIST
Inp 648.00 NIST
Inp 629.00 NIST
Inp 655.00 NIST
Inp 622.00 NIST
Inp 640.00 NIST
Inp 610.00 NIST
Inp Outlier 600.00 NIST
Inp 636.00 NIST
Inp 630.00 NIST
Inp 640.00 NIST
Inp 627.00 NIST
Inp 621.00 NIST
I [1024.00; 1086.20]   Show Hide
I Outlier 1086.20 NIST
I 1061.50 NIST
I 1069.30 NIST
I 1077.10 NIST
I 1059.00 NIST
I 1051.00 NIST
I 1042.00 NIST
I 1042.00 NIST
I 1050.00 NIST
I 1024.00 NIST
I 1041.00 NIST
I 1043.00 NIST
I 1056.00 NIST
I 1049.00 NIST
I 1042.00 NIST
I 1042.00 NIST
I 1047.00 NIST
I 1038.00 NIST
I 1051.00 NIST
I 1056.00 NIST
I 1038.00 NIST
I 1041.00 NIST
I Outlier 1086.20 NIST
Tboil [363.15; 377.20] K Show Hide
Tboil 375.50 ± 0.02 K NIST
Tboil 375.50 ± 0.60 K NIST
Tboil 363.15 ± 5.00 K NIST
Tboil 377.20 ± 0.30 K NIST
Tboil 375.30 ± 1.50 K NIST
Tc 601.98 ± 0.10 K NIST
Tfus [196.70; 199.15] K Show Hide
Tfus 196.95 K Aq. Sol...
Tfus 198.00 ± 5.00 K NIST
Tfus 196.70 ± 0.50 K NIST
Tfus 199.15 ± 1.50 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
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 [35.10; 38.80] kJ/mol [325.00; 341.00] Show Hide
ΔvapH 38.80 kJ/mol 325.00 NIST
ΔvapH 35.10 ± 0.50 kJ/mol 332.00 NIST
ΔvapH 37.30 kJ/mol 340.50 NIST
ΔvapH 36.80 kJ/mol 341.00 NIST

Similar Compounds

2-Butenal, (E)-. 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.

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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