Chemical Properties of Propanal, 2-methyl- (CAS 78-84-2)

Propanal, 2-methyl-

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChI Key
AMIMRNSIRUDHCM-UHFFFAOYSA-N
Formula
C4H8O
SMILES
CC(C)C=O
Molecular Weight1
72.11
CAS
78-84-2
Other Names
  • 2-METHYLPROPANAL
  • 2-Methyl-1-propanal
  • 2-Methylpropionaldehyde
  • 2-methylpropanal (isobutanal)
  • ISOBUTANAL
  • ISOPROPYLFORMALDEHYDE
  • Isobutaldehyde
  • Isobutylaldehyde
  • Isobutyral
  • Isobutyraldehyd
  • Isobutyraldehyde
  • Isobutyric aldehyde
  • Isobutyryl aldehyde
  • Isopropylaldehyde
  • Methyl propanal
  • NCI-C60968
  • NSC 6739
  • Propionaldehyde, 2-methyl-
  • UN 2045
  • Valine aldehyde
  • iso-C3H7CHO
  • «alpha»-Methylpropionaldehyde
  • «alpha»-Methylpropionaldehyde

Physical Properties

Property Value Unit Source
ω 0.3500 KDB
PAff 797.30 kJ/mol NIST
BasG 765.50 kJ/mol NIST
Δcliquid [-2469.40; -2467.20] kJ/mol Show Hide
Δcliquid -2469.40 ± 0.70 kJ/mol NIST
Δcliquid -2467.20 ± 0.75 kJ/mol NIST
Δf -121.40 kJ/mol KDB
Δfgas [-218.00; -215.70] kJ/mol Show Hide
Δfgas -215.90 kJ/mol KDB
Δfgas -215.80 ± 1.50 kJ/mol NIST
Δfgas -216.40 kJ/mol NIST
Δfgas -215.70 ± 1.30 kJ/mol NIST
Δfgas -218.00 kJ/mol NIST
Δfliquid [-250.20; -247.20] kJ/mol Show Hide
Δfliquid -247.30 ± 0.92 kJ/mol NIST
Δfliquid -247.90 ± 0.70 kJ/mol NIST
Δfliquid -247.20 ± 1.30 kJ/mol NIST
Δfliquid -250.20 ± 0.75 kJ/mol NIST
Δfus 4.88 kJ/mol Joback Calculated Property
Δvap [31.50; 32.80] kJ/mol Show Hide
Δvap 32.30 kJ/mol NIST
Δvap 31.50 kJ/mol NIST
Δvap 32.80 kJ/mol NIST
Δvap 31.50 ± 1.30 kJ/mol NIST
Δvap 31.50 kJ/mol NIST
Δvap 32.00 kJ/mol NIST
Δvap 32.20 kJ/mol NIST
IE [9.69; 9.82] eV Show Hide
IE 9.71 ± 0.02 eV NIST
IE 9.72 eV NIST
IE 9.71 ± 0.01 eV NIST
IE 9.69 ± 0.01 eV NIST
IE 9.74 ± 0.03 eV NIST
IE Outlier 9.82 eV NIST
log10WS -0.54 Crippen Calculated Property
logPoct/wat 0.841 Crippen Calculated Property
McVol 68.790 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
NFPA Safety 1 KDB
Pc 4150.00 kPa KDB
Inp [528.00; 595.00]   Show Hide
Inp 542.98 NIST
Inp 540.00 NIST
Inp 540.00 NIST
Inp 540.32 NIST
Inp 540.94 NIST
Inp 541.57 NIST
Inp 543.00 NIST
Inp 540.00 NIST
Inp 541.00 NIST
Inp 542.00 NIST
Inp 567.00 NIST
Inp 528.00 NIST
Inp 536.00 NIST
Inp 540.00 NIST
Inp 550.00 NIST
Inp 554.00 NIST
Inp 553.00 NIST
Inp 550.00 NIST
Inp 551.00 NIST
Inp 553.00 NIST
Inp 551.00 NIST
Inp 552.00 NIST
Inp 546.00 NIST
Inp 531.00 NIST
Inp 537.00 NIST
Inp 556.00 NIST
Inp 544.00 NIST
Inp 552.00 NIST
Inp 557.00 NIST
Inp 551.00 NIST
Inp 532.00 NIST
Inp 558.00 NIST
Inp 558.00 NIST
Inp 550.00 NIST
Inp 554.00 NIST
Inp 550.00 NIST
Inp 533.00 NIST
Inp 552.00 NIST
Inp 540.00 NIST
Inp 535.00 NIST
Inp 554.00 NIST
Inp 558.00 NIST
Inp 548.00 NIST
Inp 551.00 NIST
Inp 540.00 NIST
Inp 553.00 NIST
Inp 555.00 NIST
Inp 555.00 NIST
Inp 555.00 NIST
Inp Outlier 595.00 NIST
Inp 534.00 NIST
Inp 534.00 NIST
Inp 556.00 NIST
Inp 554.00 NIST
Inp 550.00 NIST
Inp 560.00 NIST
Inp Outlier 582.00 NIST
Inp 552.00 NIST
Inp 553.00 NIST
Inp 532.00 NIST
Inp Outlier 591.00 NIST
Inp 535.00 NIST
Inp 550.00 NIST
Inp Outlier 582.00 NIST
Inp 550.00 NIST
Inp 550.00 NIST
Inp 540.00 NIST
Inp 531.00 NIST
Inp 531.00 NIST
Inp 532.00 NIST
Inp 534.00 NIST
Inp 532.00 NIST
Inp 550.00 NIST
Inp 547.00 NIST
Inp 552.00 NIST
Inp 558.00 NIST
Inp 550.00 NIST
Inp 542.00 NIST
Inp 561.00 NIST
Inp 550.00 NIST
Inp 550.00 NIST
Inp 540.00 NIST
Inp 540.00 NIST
Inp 566.00 NIST
Inp 543.00 NIST
Inp 538.00 NIST
Inp 558.00 NIST
Inp 547.00 NIST
Inp 536.00 NIST
Inp 530.00 NIST
Inp 531.00 NIST
Inp 536.00 NIST
Inp 556.00 NIST
Inp 537.00 NIST
Inp 539.00 NIST
Inp 541.00 NIST
Inp 538.00 NIST
Inp 540.00 NIST
Inp 554.00 NIST
Inp 532.00 NIST
Inp 550.00 NIST
Inp 558.00 NIST
Inp 536.00 NIST
Inp 538.00 NIST
I [770.00; 855.00]   Show Hide
I 842.70 NIST
I 830.40 NIST
I 836.80 NIST
I 838.60 NIST
I 842.00 NIST
I 801.00 NIST
I 812.00 NIST
I 800.00 NIST
I 800.00 NIST
I 800.00 NIST
I 842.00 NIST
I 833.00 NIST
I 813.00 NIST
I 828.00 NIST
I Outlier 770.00 NIST
I 813.00 NIST
I 812.00 NIST
I 839.00 NIST
I Outlier 770.00 NIST
I Outlier 855.00 NIST
I 823.00 NIST
I 830.00 NIST
I 789.00 NIST
I 810.00 NIST
I 800.00 NIST
I 807.00 NIST
I 814.00 NIST
I 812.00 NIST
I 812.00 NIST
I 830.00 NIST
I 820.00 NIST
I 820.00 NIST
I 802.00 NIST
I 834.00 NIST
I 821.00 NIST
I 821.00 NIST
I 819.00 NIST
I 821.00 NIST
I Outlier 850.00 NIST
I 833.00 NIST
I 814.00 NIST
I 819.00 NIST
I 821.00 NIST
I 831.00 NIST
I 834.00 NIST
I 827.00 NIST
I 814.00 NIST
I 822.00 NIST
I 807.00 NIST
I 817.00 NIST
I 813.00 NIST
I 814.00 NIST
I 820.00 NIST
I 818.00 NIST
I 800.00 NIST
I 819.00 NIST
I 819.00 NIST
I 808.00 NIST
I 830.00 NIST
I 812.00 NIST
I 814.00 NIST
I 821.00 NIST
I 834.00 NIST
I 830.00 NIST
I 825.00 NIST
I 800.00 NIST
I 800.00 NIST
I 824.00 NIST
I 817.00 NIST
I 842.70 NIST
I 801.00 NIST
I 842.00 NIST
I 813.00 NIST
I 823.00 NIST
I 807.00 NIST
I 814.00 NIST
I 820.00 NIST
I 819.00 NIST
I 800.00 NIST
Tboil [64.33; 381.15] K Show Hide
Tboil 337.00 K KDB
Tboil 336.20 K NIST
Tboil 337.70 K NIST
Tboil 342.02 ± 0.30 K NIST
Tboil 381.15 ± 0.40 K NIST
Tboil 337.25 K NIST
Tboil 337.15 ± 2.00 K NIST
Tboil Outlier 64.33 ± 0.10 K NIST
Tboil 337.20 ± 2.00 K NIST
Tboil 335.15 ± 0.50 K NIST
Tboil 337.25 ± 1.00 K NIST
Tboil 337.15 ± 1.00 K NIST
Tboil 336.65 ± 1.00 K NIST
Tboil 337.65 ± 2.00 K NIST
Tboil 336.70 ± 0.60 K NIST
Tboil 337.00 ± 3.00 K NIST
Tboil 336.20 ± 2.00 K NIST
Tboil 337.25 ± 1.00 K NIST
Tboil 336.85 ± 1.00 K NIST
Tboil 336.45 ± 1.00 K NIST
Tboil 335.65 ± 2.00 K NIST
Tboil 337.15 ± 2.00 K NIST
Tboil 335.15 ± 3.00 K NIST
Tboil 336.65 ± 2.00 K NIST
Tboil 334.15 ± 2.00 K NIST
Tboil 334.15 ± 2.00 K NIST
Tboil 336.65 ± 2.00 K NIST
Tboil 335.15 ± 2.00 K NIST
Tboil 334.15 ± 3.00 K NIST
Tc 513.00 K KDB
Tfus [145.00; 208.20] K Show Hide
Tfus 208.20 K KDB
Tfus 201.00 ± 0.50 K NIST
Tfus 207.30 ± 2.00 K NIST
Tfus 207.30 ± 2.00 K NIST
Tfus Outlier 145.00 ± 3.00 K NIST
Tfus 207.30 ± 0.40 K NIST
Tfus 201.00 ± 0.50 K NIST
Vc 0.274 m3/kmol KDB
Zc 0.2665900 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [111.96; 151.04] J/mol×K [339.14; 516.35] Show Hide
Cp,gas 111.96 J/mol×K 339.14 Joback Calculated Property
Cp,gas 119.12 J/mol×K 368.67 Joback Calculated Property
Cp,gas 126.02 J/mol×K 398.21 Joback Calculated Property
Cp,gas 132.65 J/mol×K 427.74 Joback Calculated Property
Cp,gas 139.03 J/mol×K 457.28 Joback Calculated Property
Cp,gas 145.16 J/mol×K 486.81 Joback Calculated Property
Cp,gas 151.04 J/mol×K 516.35 Joback Calculated Property
η [0.0002795; 0.0054155] Pa×s [161.84; 339.14] Show Hide
η 0.0054155 Pa×s 161.84 Joback Calculated Property
η 0.0022568 Pa×s 191.39 Joback Calculated Property
η 0.0011886 Pa×s 220.94 Joback Calculated Property
η 0.0007282 Pa×s 250.49 Joback Calculated Property
η 0.0004948 Pa×s 280.04 Joback Calculated Property
η 0.0003619 Pa×s 309.59 Joback Calculated Property
η 0.0002795 Pa×s 339.14 Joback Calculated Property
ΔvapH [31.40; 33.40] kJ/mol [318.50; 340.00] Show Hide
ΔvapH 31.40 kJ/mol 318.50 NIST
ΔvapH 31.80 kJ/mol 323.00 NIST
ΔvapH 33.40 kJ/mol 340.00 NIST
ρl 789.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.68] kPa [248.99; 357.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48847e+01
Coefficient B-3.01099e+03
Coefficient C-4.27150e+01
Temperature range, min.248.99
Temperature range, max.357.24
Pvap 1.33 kPa 248.99 Calculated Property
Pvap 2.98 kPa 261.02 Calculated Property
Pvap 6.12 kPa 273.05 Calculated Property
Pvap 11.72 kPa 285.07 Calculated Property
Pvap 21.08 kPa 297.10 Calculated Property
Pvap 35.98 kPa 309.13 Calculated Property
Pvap 58.62 kPa 321.16 Calculated Property
Pvap 91.73 kPa 333.18 Calculated Property
Pvap 138.51 kPa 345.21 Calculated Property
Pvap 202.68 kPa 357.24 Calculated Property
Pvap [0.04; 4084.94] kPa [208.15; 508.46] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.23749e+02
Coefficient B-7.99301e+03
Coefficient C-1.67410e+01
Coefficient D1.78146e-05
Temperature range, min.208.15
Temperature range, max.508.46
Pvap 0.04 kPa 208.15 Calculated Property
Pvap 0.85 kPa 241.52 Calculated Property
Pvap 7.35 kPa 274.89 Calculated Property
Pvap 35.53 kPa 308.25 Calculated Property
Pvap 117.78 kPa 341.62 Calculated Property
Pvap 303.88 kPa 374.99 Calculated Property
Pvap 663.10 kPa 408.36 Calculated Property
Pvap 1294.54 kPa 441.72 Calculated Property
Pvap 2351.15 kPa 475.09 Calculated Property
Pvap 4084.94 kPa 508.46 Calculated Property

Similar Compounds

«alpha»-Cyanopropionaldehyde. isobutyryl chloride. Isobutyl radical. i-C4H9. Isobutane. Isobutyryl bromide. Propanal, 2,2-dimethyl-. iPrCO2 anion. 2-Butanone, 3-methyl-. Propanal. 3-Mercapto-2-methylpropanal. Butanal, 2-methyl-. (S)-2-methylbutanal. Propanoic acid, 2-methyl-. Cyclopropanecarboxaldehyde.

Find more compounds similar to Propanal, 2-methyl-.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

Login Register