Chemical Properties of Butanal, 3-methyl- (CAS 590-86-3)

Butanal, 3-methyl-

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InChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChI Key
YGHRJJRRZDOVPD-UHFFFAOYSA-N
Formula
C5H10O
SMILES
CC(C)CC=O
Molecular Weight1
86.13
CAS
590-86-3
Other Names
  • 1-Butanal, 3-methyl-
  • 2-Methylbutanal-4
  • 3-Methyl-1-butanal
  • 3-Methylbutan-1-al
  • 3-Methylbutanal
  • 3-Methylbutyraldehyde
  • Butyraldehyde, 3-methyl-
  • Isoamylaldehyde
  • Isopentaldehyde
  • Isopentanal
  • Isovaleral
  • Isovaleraldehyde
  • Isovaleric aldehyde
  • Isovalerylaldehyde
  • NSC 404119
  • iso-C4H9CHO
  • «beta»-Methylbutanal
  • «beta»-Methylbutanal
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Physical Properties

Property Value Unit Source
Δf -110.74 kJ/mol Joback Calculated Property
Δfgas -237.39 kJ/mol Joback Calculated Property
Δfus 7.47 kJ/mol Joback Calculated Property
Δvap 33.06 kJ/mol Joback Calculated Property
IE [9.68; 9.72] eV Show Hide
IE 9.72 eV NIST
IE 9.70 ± 0.01 eV NIST
IE 9.68 ± 0.02 eV NIST
IE 9.71 ± 0.05 eV NIST
log10WS -0.95 Crippen Calculated Property
logPoct/wat 1.231 Crippen Calculated Property
McVol 82.880 ml/mol McGowan Calculated Property
Pc 3829.28 kPa Joback Calculated Property
Inp [611.00; 697.00]   Show Hide
Inp 639.23 NIST
Inp 633.83 NIST
Inp 634.98 NIST
Inp 636.40 NIST
Inp 637.46 NIST
Inp 639.00 NIST
Inp 635.00 NIST
Inp 636.00 NIST
Inp 638.00 NIST
Inp 636.10 NIST
Inp 649.60 NIST
Inp 623.00 NIST
Inp 631.00 NIST
Inp 640.00 NIST
Inp 645.00 NIST
Inp 649.00 NIST
Inp 637.00 NIST
Inp 640.00 NIST
Inp 638.00 NIST
Inp 638.00 NIST
Inp 643.00 NIST
Inp 645.00 NIST
Inp Outlier 615.00 NIST
Inp 655.00 NIST
Inp 650.00 NIST
Inp 649.00 NIST
Inp 649.00 NIST
Inp 655.00 NIST
Inp 655.00 NIST
Inp 652.00 NIST
Inp 664.00 NIST
Inp 630.00 NIST
Inp 650.00 NIST
Inp Outlier 686.00 NIST
Inp 622.00 NIST
Inp 649.00 NIST
Inp 662.00 NIST
Inp 657.00 NIST
Inp 669.00 NIST
Inp 669.00 NIST
Inp 669.00 NIST
Inp Outlier 686.00 NIST
Inp 654.00 NIST
Inp 650.00 NIST
Inp 650.00 NIST
Inp 650.00 NIST
Inp 648.00 NIST
Inp 666.00 NIST
Inp 628.00 NIST
Inp 655.00 NIST
Inp 629.00 NIST
Inp 663.00 NIST
Inp 658.00 NIST
Inp 667.00 NIST
Inp 671.00 NIST
Inp 624.00 NIST
Inp 663.00 NIST
Inp 625.00 NIST
Inp Outlier 617.00 NIST
Inp Outlier 617.00 NIST
Inp 652.00 NIST
Inp 651.00 NIST
Inp 667.00 NIST
Inp 642.00 NIST
Inp 666.00 NIST
Inp 630.00 NIST
Inp 638.00 NIST
Inp 651.00 NIST
Inp 629.00 NIST
Inp Outlier 617.00 NIST
Inp 654.00 NIST
Inp 649.75 NIST
Inp 656.00 NIST
Inp 670.00 NIST
Inp 638.00 NIST
Inp 651.00 NIST
Inp 645.00 NIST
Inp 661.00 NIST
Inp 639.00 NIST
Inp 631.00 NIST
Inp 631.00 NIST
Inp 632.00 NIST
Inp 631.00 NIST
Inp 633.00 NIST
Inp 627.00 NIST
Inp 628.00 NIST
Inp 629.00 NIST
Inp 629.00 NIST
Inp 641.00 NIST
Inp 632.00 NIST
Inp 633.00 NIST
Inp 651.00 NIST
Inp 652.00 NIST
Inp 645.00 NIST
Inp 651.00 NIST
Inp 640.00 NIST
Inp 652.00 NIST
Inp 665.00 NIST
Inp 649.00 NIST
Inp 646.00 NIST
Inp 634.00 NIST
Inp 619.00 NIST
Inp 656.00 NIST
Inp 656.00 NIST
Inp 652.00 NIST
Inp 652.00 NIST
Inp 664.00 NIST
Inp 646.00 NIST
Inp 646.00 NIST
Inp 670.00 NIST
Inp 652.00 NIST
Inp 671.00 NIST
Inp 671.00 NIST
Inp 649.00 NIST
Inp 658.00 NIST
Inp Outlier 611.00 NIST
Inp Outlier 614.00 NIST
Inp 650.00 NIST
Inp 660.00 NIST
Inp 631.00 NIST
Inp 650.00 NIST
Inp 654.00 NIST
Inp 650.00 NIST
Inp 655.00 NIST
Inp 661.00 NIST
Inp 650.00 NIST
Inp 666.00 NIST
Inp 660.00 NIST
Inp 647.00 NIST
Inp 626.00 NIST
Inp 654.00 NIST
Inp 654.00 NIST
Inp 652.00 NIST
Inp 642.00 NIST
Inp 635.00 NIST
Inp 630.00 NIST
Inp 638.00 NIST
Inp 654.00 NIST
Inp 645.00 NIST
Inp 651.00 NIST
Inp 662.00 NIST
Inp 621.00 NIST
Inp 645.00 NIST
Inp 646.00 NIST
Inp 630.00 NIST
Inp 653.00 NIST
Inp 659.00 NIST
Inp Outlier 697.00 NIST
Inp 654.00 NIST
Inp 663.00 NIST
Inp 658.00 NIST
Inp 652.00 NIST
Inp 647.00 NIST
Inp 647.00 NIST
Inp 655.00 NIST
Inp 640.00 NIST
Inp 651.00 NIST
Inp 644.00 NIST
Inp 629.00 NIST
Inp Outlier 678.00 NIST
Inp 640.00 NIST
Inp 629.00 NIST
Inp Outlier 678.00 NIST
Inp 661.00 NIST
Inp 658.00 NIST
Inp 660.00 NIST
Inp 650.00 NIST
Inp 650.00 NIST
Inp Outlier 613.00 NIST
Inp 654.00 NIST
Inp 650.00 NIST
Inp 657.00 NIST
Inp 626.00 NIST
Inp 637.00 NIST
Inp 649.00 NIST
Inp 646.00 NIST
Inp Outlier 689.00 NIST
Inp 659.00 NIST
Inp 654.00 NIST
Inp 651.00 NIST
Inp 639.00 NIST
Inp 651.00 NIST
Inp 652.00 NIST
Inp 652.00 NIST
Inp 628.00 NIST
Inp 624.57 NIST
Inp 649.00 NIST
Inp 664.00 NIST
Inp 648.00 NIST
Inp 649.00 NIST
Inp 627.00 NIST
Inp 650.00 NIST
Inp 654.00 NIST
Inp 634.00 NIST
Inp 635.00 NIST
Inp 659.00 NIST
Inp 627.00 NIST
Inp 653.00 NIST
Inp 653.00 NIST
Inp 627.00 NIST
Inp 649.00 NIST
Inp 622.00 NIST
Inp 628.00 NIST
Inp 619.00 NIST
Inp 628.00 NIST
Inp 659.00 NIST
Inp 663.00 NIST
Inp 638.00 NIST
Inp 649.00 NIST
Inp 627.00 NIST
Inp 625.00 NIST
Inp 632.00 NIST
Inp 627.00 NIST
Inp 627.00 NIST
Inp 632.00 NIST
Inp 630.00 NIST
Inp 632.00 NIST
Inp 635.00 NIST
Inp 628.00 NIST
Inp 633.00 NIST
Inp 669.00 NIST
Inp 652.00 NIST
Inp 642.00 NIST
Inp 651.00 NIST
Inp 655.00 NIST
Inp 650.00 NIST
Inp 651.00 NIST
Inp 654.00 NIST
Inp 634.00 NIST
Inp 656.00 NIST
Inp 657.00 NIST
Inp 625.00 NIST
Inp 663.00 NIST
Inp 656.00 NIST
Inp 652.00 NIST
Inp 653.00 NIST
Inp 662.00 NIST
Inp 671.00 NIST
Inp 644.00 NIST
Inp 636.00 NIST
Inp 622.00 NIST
Inp 660.00 NIST
Inp 650.00 NIST
Inp 647.00 NIST
Inp 629.00 NIST
Inp 647.00 NIST
Inp 665.00 NIST
Inp 649.00 NIST
Inp 649.00 NIST
Inp 635.00 NIST
Inp 665.00 NIST
Inp 649.00 NIST
Inp 648.00 NIST
Inp 635.00 NIST
Inp 655.00 NIST
Inp 654.00 NIST
Inp 664.00 NIST
Inp 654.00 NIST
Inp 652.00 NIST
Inp 653.00 NIST
Inp 633.00 NIST
Inp 633.00 NIST
Inp 654.00 NIST
Inp 663.00 NIST
Inp 650.00 NIST
Inp 650.00 NIST
Inp 667.00 NIST
Inp 659.00 NIST
Inp 646.00 NIST
Inp 647.00 NIST
Inp 657.00 NIST
Inp 656.00 NIST
Inp 650.00 NIST
Inp 622.00 NIST
Inp 655.00 NIST
Inp 637.00 NIST
Inp 650.00 NIST
Inp 629.00 NIST
Inp 652.00 NIST
Inp 652.00 NIST
Inp 652.00 NIST
Inp 654.00 NIST
Inp 652.00 NIST
Inp 632.00 NIST
Inp 638.00 NIST
Inp 630.00 NIST
Inp 650.00 NIST
Inp 630.00 NIST
Inp 660.00 NIST
Inp 650.00 NIST
Inp 637.00 NIST
Inp 622.00 NIST
Inp 626.00 NIST
Inp 653.00 NIST
Inp 637.00 NIST
Inp 634.00 NIST
Inp Outlier 615.00 NIST
I [876.00; 957.00]   Show Hide
I Outlier 951.00 NIST
I 936.00 NIST
I 940.30 NIST
I 945.60 NIST
I 900.00 NIST
I 938.00 NIST
I 900.00 NIST
I 937.00 NIST
I 917.00 NIST
I 921.00 NIST
I 922.00 NIST
I 927.00 NIST
I 913.00 NIST
I 933.00 NIST
I Outlier 876.00 NIST
I 930.00 NIST
I 916.00 NIST
I 909.00 NIST
I 914.00 NIST
I 918.00 NIST
I 940.00 NIST
I 930.00 NIST
I 925.00 NIST
I 915.00 NIST
I 928.00 NIST
I 941.00 NIST
I 906.00 NIST
I 915.00 NIST
I 912.00 NIST
I 922.00 NIST
I 915.00 NIST
I 912.00 NIST
I 932.00 NIST
I 932.00 NIST
I 907.00 NIST
I 943.00 NIST
I 929.00 NIST
I 902.00 NIST
I 911.00 NIST
I 911.00 NIST
I 919.00 NIST
I 911.00 NIST
I 909.00 NIST
I 906.00 NIST
I 929.00 NIST
I 936.00 NIST
I 914.00 NIST
I 914.00 NIST
I 911.00 NIST
I 914.00 NIST
I 918.00 NIST
I 912.00 NIST
I 920.00 NIST
I 917.00 NIST
I 920.00 NIST
I 920.00 NIST
I 921.00 NIST
I Outlier 949.00 NIST
I 919.00 NIST
I 920.00 NIST
I Outlier 950.00 NIST
I 925.00 NIST
I 925.00 NIST
I 925.00 NIST
I 911.00 NIST
I 910.00 NIST
I 921.00 NIST
I 931.00 NIST
I 945.00 NIST
I 945.00 NIST
I Outlier 957.00 NIST
I 915.00 NIST
I 920.00 NIST
I 933.00 NIST
I 920.00 NIST
I 920.00 NIST
I 914.00 NIST
I 922.00 NIST
I 930.00 NIST
I 923.00 NIST
I 916.00 NIST
I 924.00 NIST
I 901.00 NIST
I 917.00 NIST
I 927.00 NIST
I 909.00 NIST
I 922.00 NIST
I 932.00 NIST
I 937.00 NIST
I 939.00 NIST
I 934.00 NIST
I 922.00 NIST
I 910.00 NIST
I 915.00 NIST
I 916.00 NIST
I 913.00 NIST
I 923.00 NIST
I 906.00 NIST
I 929.00 NIST
I 932.00 NIST
I 933.00 NIST
I 936.00 NIST
I 925.00 NIST
I Outlier 884.00 NIST
I Outlier 884.00 NIST
I 916.00 NIST
I 911.00 NIST
I 913.00 NIST
I 918.00 NIST
I 923.00 NIST
I 912.00 NIST
I 912.00 NIST
I Outlier 884.00 NIST
I 935.00 NIST
I 917.00 NIST
I 917.00 NIST
I 927.00 NIST
I Outlier 884.00 NIST
I 924.00 NIST
I Outlier 884.00 NIST
I 917.00 NIST
I 925.00 NIST
I 914.00 NIST
I 907.00 NIST
I Outlier 957.00 NIST
I 906.00 NIST
I 915.00 NIST
I 914.00 NIST
I 929.00 NIST
I 899.00 NIST
I 937.00 NIST
I 912.00 NIST
I 914.00 NIST
I 914.00 NIST
I 912.00 NIST
I 937.00 NIST
I 917.00 NIST
I 904.00 NIST
I 907.00 NIST
I 896.00 NIST
I 905.00 NIST
I 914.00 NIST
I 915.00 NIST
I 918.00 NIST
I 918.00 NIST
I 917.00 NIST
I 925.00 NIST
I 931.00 NIST
I 895.00 NIST
I 910.00 NIST
I 922.00 NIST
I 900.00 NIST
I 897.00 NIST
I 900.00 NIST
I 929.00 NIST
I 917.00 NIST
I 920.00 NIST
I 931.00 NIST
I 912.00 NIST
I 916.00 NIST
I 910.00 NIST
I 927.00 NIST
I 909.00 NIST
I 910.00 NIST
I 912.00 NIST
I 906.00 NIST
I 929.00 NIST
I 902.00 NIST
I 938.00 NIST
I 902.00 NIST
I 923.00 NIST
I 931.00 NIST
I 913.00 NIST
I 936.00 NIST
I 919.00 NIST
I 923.00 NIST
I 937.00 NIST
I 931.00 NIST
I 912.00 NIST
I 913.00 NIST
I 926.00 NIST
I 927.00 NIST
I 913.00 NIST
I 936.00 NIST
I 920.00 NIST
I 920.00 NIST
I 917.00 NIST
I 920.00 NIST
I 921.00 NIST
I 937.00 NIST
I 915.00 NIST
I 918.00 NIST
I Outlier 950.00 NIST
I 928.00 NIST
I 896.00 NIST
I 918.00 NIST
I 910.00 NIST
I 929.00 NIST
I 916.00 NIST
I 912.00 NIST
I 902.00 NIST
I 919.00 NIST
I 913.00 NIST
I 920.00 NIST
I 937.00 NIST
I 922.00 NIST
I 930.00 NIST
I 940.00 NIST
I 941.00 NIST
I 915.00 NIST
I 943.00 NIST
I 936.00 NIST
Tboil 362.02 K Joback Calculated Property
Tc 539.07 K Joback Calculated Property
Tfus 167.70 ± 1.00 K NIST
Vc 0.327 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [144.45; 191.76] J/mol×K [362.02; 539.07] Show Hide
Cp,gas 144.45 J/mol×K 362.02 Joback Calculated Property
Cp,gas 153.14 J/mol×K 391.53 Joback Calculated Property
Cp,gas 161.50 J/mol×K 421.04 Joback Calculated Property
Cp,gas 169.54 J/mol×K 450.54 Joback Calculated Property
Cp,gas 177.25 J/mol×K 480.05 Joback Calculated Property
Cp,gas 184.66 J/mol×K 509.56 Joback Calculated Property
Cp,gas 191.76 J/mol×K 539.07 Joback Calculated Property
η [0.0002992; 0.0063146] Pa×s [173.11; 362.02] Show Hide
η 0.0063146 Pa×s 173.11 Joback Calculated Property
η 0.0025690 Pa×s 204.59 Joback Calculated Property
η 0.0013285 Pa×s 236.08 Joback Calculated Property
η 0.0008023 Pa×s 267.56 Joback Calculated Property
η 0.0005388 Pa×s 299.05 Joback Calculated Property
η 0.0003904 Pa×s 330.53 Joback Calculated Property
η 0.0002992 Pa×s 362.02 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [272.00; 388.49] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45335e+01
Coefficient B-3.04644e+03
Coefficient C-5.81500e+01
Temperature range, min.272.00
Temperature range, max.388.49
Pvap 1.33 kPa 272.00 Calculated Property
Pvap 3.01 kPa 284.94 Calculated Property
Pvap 6.21 kPa 297.89 Calculated Property
Pvap 11.91 kPa 310.83 Calculated Property
Pvap 21.42 kPa 323.77 Calculated Property
Pvap 36.50 kPa 336.72 Calculated Property
Pvap 59.32 kPa 349.66 Calculated Property
Pvap 92.50 kPa 362.60 Calculated Property
Pvap 139.11 kPa 375.55 Calculated Property
Pvap 202.63 kPa 388.49 Calculated Property

Similar Compounds

(S)-2-methylbutanal. Butanal, 2-methyl-. Pentanal, 3-methyl-. 3,4-dimethylvaleraldehyde. Hexanal, 3-methyl-. Methyl Isobutyl Ketone. 2-Pentanone, 4-methyl-1,1,1,3,3-d5-. 4-methylpentanal. 3-methylbutyl radical. 3,3-Dimethylbutanal. Butanal, 3,3-dimethyl-. Farnasal. Octanal, 3,7-dimethyl-. Hexanal, 5-methyl-. Butanal, 2-ethyl-.

Find more compounds similar to Butanal, 3-methyl-.

Mixtures

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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