Chemical Properties of Butanal (CAS 123-72-8)

Butanal

PDF Excel Molecule Calculator
InChI
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChI Key
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
Formula
C4H8O
SMILES
CCCC=O
Molecular Weight1
72.11
CAS
123-72-8
Other Names
  • 1-Butanal
  • 1-propanecarbaldehyde
  • Aldehyde butyrique
  • Aldeide butirrica
  • BUTAL
  • BUTYL ALDEHYDE
  • Butaldehyde
  • Butalyde
  • Butan-1-al
  • Butanaldehyde
  • Butyral
  • Butyraldehyd
  • Butyraldehyde
  • Butyric aldehyde
  • Butyrylaldehyde
  • NCI-C56291
  • NSC 62779
  • UN 1129
  • n-Butanal
  • n-Butyl aldehyde
  • n-Butyraldehyde
  • n-C3H7CHO
  • propanecarbaldehyde
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.3520 KDB
PAff 792.70 kJ/mol NIST
Tig 503.15 K KDB
BasG 760.80 kJ/mol NIST
Δcliquid [-2478.70; -2477.10] kJ/mol Show Hide
Δcliquid -2477.10 ± 1.40 kJ/mol NIST
Δcliquid -2478.70 ± 0.71 kJ/mol NIST
μ 2.60 debye KDB
EA 6.94e-04 eV NIST
LFL 2.50 % in Air KDB
UFL 10.60 % in Air KDB
Tflash,cc 263.71 K KDB
Tflash,oc 266.48 K KDB
Δf -114.80 kJ/mol KDB
Δfgas [-211.80; -204.40] kJ/mol Show Hide
Δfgas -205.20 kJ/mol KDB
Δfgas -211.80 ± 0.92 kJ/mol NIST
Δfgas -204.40 ± 1.40 kJ/mol NIST
Δfgas -206.70 kJ/mol NIST
Δfgas -205.10 kJ/mol NIST
Δfliquid [-245.40; -238.10] kJ/mol Show Hide
Δfliquid -245.40 ± 0.84 kJ/mol NIST
Δfliquid -238.10 ± 1.50 kJ/mol NIST
Δfliquid -240.30 kJ/mol NIST
Δfliquid -238.70 ± 0.71 kJ/mol NIST
Δfus 8.40 kJ/mol Joback Calculated Property
Δvap [33.20; 33.70] kJ/mol Show Hide
Δvap 33.20 kJ/mol NIST
Δvap 33.60 kJ/mol NIST
Δvap 33.70 ± 0.40 kJ/mol NIST
Δvap 33.70 ± 0.40 kJ/mol NIST
Δvap 33.70 kJ/mol NIST
IE [9.73; 9.86] eV Show Hide
IE 9.82 ± 0.04 eV NIST
IE 9.83 eV NIST
IE 9.80 eV NIST
IE 9.73 ± 0.01 eV NIST
IE 9.84 ± 0.01 eV NIST
IE 9.73 ± 0.03 eV NIST
IE 9.86 ± 0.02 eV NIST
IE 9.85 eV NIST
IE 9.83 eV NIST
log10WS [-0.01; -1.00e-02]   Show Hide
log10WS -1.00e-02 Aq. Sol...
log10WS -0.01 Estimat...
logPoct/wat 0.985 Crippen Calculated Property
McVol 68.790 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
NFPA Safety 1 KDB
Pc [4320.00; 4320.00] kPa Show Hide
Pc 4320.00 kPa KDB
Pc 4320.00 ± 100.00 kPa NIST
ρc 279.77 ± 5.05 kg/m3 NIST
Inp [542.10; 618.79]   Show Hide
Inp 571.50 NIST
Inp 570.91 NIST
Inp 568.78 NIST
Inp 569.15 NIST
Inp 571.57 NIST
Inp 573.77 NIST
Inp 575.99 NIST
Inp 578.18 NIST
Inp 580.49 NIST
Inp 583.70 NIST
Inp 587.66 NIST
Inp 588.95 NIST
Inp Outlier 615.44 NIST
Inp Outlier 618.79 NIST
Inp 573.33 NIST
Inp 570.90 NIST
Inp 570.70 NIST
Inp 571.10 NIST
Inp 571.90 NIST
Inp 572.54 NIST
Inp Outlier 542.10 NIST
Inp 573.00 NIST
Inp 571.00 NIST
Inp 572.00 NIST
Inp 572.00 NIST
Inp 574.00 NIST
Inp 574.00 NIST
Inp 556.00 NIST
Inp 563.00 NIST
Inp 553.00 NIST
Inp 554.00 NIST
Inp 568.00 NIST
Inp 555.00 NIST
Inp 553.00 NIST
Inp 586.00 NIST
Inp 586.00 NIST
Inp 605.00 NIST
Inp 594.00 NIST
Inp 593.00 NIST
Inp 600.00 NIST
Inp 561.00 NIST
Inp 589.50 NIST
Inp 593.00 NIST
Inp 600.00 NIST
Inp 575.00 NIST
Inp 571.00 NIST
Inp 570.00 NIST
Inp Outlier 613.00 NIST
Inp 598.00 NIST
Inp 596.00 NIST
Inp 595.00 NIST
Inp 596.00 NIST
Inp 571.00 NIST
Inp 562.00 NIST
Inp Outlier 545.00 NIST
Inp 593.00 NIST
Inp 598.00 NIST
Inp 601.00 NIST
Inp 593.00 NIST
Inp 563.31 NIST
Inp 595.00 NIST
Inp 596.00 NIST
Inp 596.00 NIST
Inp 587.00 NIST
Inp 564.00 NIST
Inp 565.00 NIST
Inp 576.00 NIST
Inp 583.00 NIST
Inp 582.00 NIST
Inp Outlier 614.00 NIST
Inp 572.00 NIST
Inp 591.00 NIST
Inp 571.00 NIST
Inp 550.00 NIST
Inp 571.00 NIST
Inp 593.00 NIST
Inp 564.00 NIST
Inp 607.00 NIST
Inp 568.00 NIST
Inp 563.00 NIST
Inp 563.00 NIST
Inp 568.00 NIST
Inp 589.00 NIST
Inp 575.00 NIST
Inp 574.00 NIST
Inp 571.50 NIST
Inp 573.77 NIST
Inp 587.66 NIST
Inp 570.90 NIST
Inp Outlier 542.10 NIST
Inp 574.00 NIST
Inp 554.00 NIST
Inp 586.00 NIST
Inp 605.00 NIST
I [830.00; 911.46]   Show Hide
I 854.46 NIST
I 867.47 NIST
I 874.62 NIST
I 891.30 NIST
I 911.46 NIST
I 907.20 NIST
I 894.80 NIST
I 897.80 NIST
I 901.80 NIST
I 906.00 NIST
I 867.00 NIST
I 853.00 NIST
I 839.00 NIST
I 875.00 NIST
I 875.00 NIST
I 904.00 NIST
I 867.00 NIST
I 867.00 NIST
I 867.00 NIST
I 877.00 NIST
I 899.00 NIST
I 891.00 NIST
I 877.00 NIST
I 866.00 NIST
I 883.00 NIST
I 878.00 NIST
I 880.00 NIST
I 883.00 NIST
I 881.00 NIST
I Outlier 830.00 NIST
I Outlier 831.00 NIST
I 862.00 NIST
I 887.00 NIST
I 878.00 NIST
I 895.00 NIST
I 899.00 NIST
I 905.00 NIST
I 880.00 NIST
I 895.00 NIST
I 895.00 NIST
I 886.00 NIST
I 867.00 NIST
I 839.00 NIST
I 839.00 NIST
I 839.00 NIST
I 877.00 NIST
I 890.00 NIST
I 864.00 NIST
I 875.00 NIST
I 891.00 NIST
I 861.00 NIST
I 866.00 NIST
I 861.00 NIST
I 878.00 NIST
I 880.00 NIST
I 859.00 NIST
I 867.00 NIST
I 837.00 NIST
I 895.00 NIST
I 877.00 NIST
I 865.00 NIST
I Outlier 832.00 NIST
I 885.00 NIST
I 875.00 NIST
I 880.00 NIST
I 898.00 NIST
I 910.00 NIST
I 891.00 NIST
I 880.00 NIST
I 877.00 NIST
I 853.00 NIST
gas 344.80 ± 4.20 J/mol×K NIST
liquid [242.70; 246.90] J/mol×K Show Hide
liquid 242.70 J/mol×K NIST
liquid 246.90 J/mol×K NIST
Tboil [75.70; 1021.99] K Show Hide
Tboil 347.90 K KDB
Tboil 348.70 K NIST
Tboil Outlier 1021.99 ± 0.10 K NIST
Tboil 347.95 ± 0.40 K NIST
Tboil 347.94 ± 0.30 K NIST
Tboil 347.95 K NIST
Tboil 347.40 ± 0.50 K NIST
Tboil 347.65 ± 0.50 K NIST
Tboil 347.85 ± 1.00 K NIST
Tboil 344.90 ± 3.00 K NIST
Tboil 347.35 ± 1.00 K NIST
Tboil 348.35 ± 0.50 K NIST
Tboil 348.40 ± 0.60 K NIST
Tboil 346.00 ± 3.00 K NIST
Tboil 348.35 ± 0.50 K NIST
Tboil 348.65 ± 1.00 K NIST
Tboil 349.15 ± 2.00 K NIST
Tboil 348.65 ± 1.00 K NIST
Tboil 347.75 ± 0.50 K NIST
Tboil 347.95 ± 0.30 K NIST
Tboil 346.15 ± 2.00 K NIST
Tboil 348.05 ± 1.00 K NIST
Tboil 346.65 ± 1.00 K NIST
Tboil 346.65 ± 2.00 K NIST
Tboil 347.85 ± 0.50 K NIST
Tboil 346.00 ± 3.00 K NIST
Tboil 350.15 ± 1.00 K NIST
Tboil 347.40 ± 1.00 K NIST
Tboil Outlier 75.70 ± 0.50 K NIST
Tboil 348.15 ± 2.00 K NIST
Tboil 345.65 ± 3.00 K NIST
Tboil 348.15 ± 2.00 K NIST
Tboil 346.65 ± 2.00 K NIST
Tboil 348.15 ± 3.00 K NIST
Tboil 348.15 ± 2.00 K NIST
Tc [537.10; 537.20] K Show Hide
Tc 537.20 K KDB
Tc 537.10 ± 4.00 K NIST
Tc 537.20 ± 0.80 K NIST
Tfus [174.00; 175.40] K Show Hide
Tfus 174.00 K KDB
Tfus 175.40 K Aq. Sol...
Ttriple [176.28; 176.80] K Show Hide
Ttriple 176.28 ± 0.02 K NIST
Ttriple 176.80 ± 0.20 K NIST
Ttriple 176.80 ± 0.20 K NIST
Vc 0.258 m3/kmol KDB
Zc 0.2495350 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [112.13; 149.84] J/mol×K [339.58; 512.50] Show Hide
Cp,gas 112.13 J/mol×K 339.58 Joback Calculated Property
Cp,gas 119.02 J/mol×K 368.40 Joback Calculated Property
Cp,gas 125.66 J/mol×K 397.22 Joback Calculated Property
Cp,gas 132.06 J/mol×K 426.04 Joback Calculated Property
Cp,gas 138.22 J/mol×K 454.86 Joback Calculated Property
Cp,gas 144.14 J/mol×K 483.68 Joback Calculated Property
Cp,gas 149.84 J/mol×K 512.50 Joback Calculated Property
Cp,liquid [163.51; 164.70] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 164.70 J/mol×K 298.15 NIST
Cp,liquid 163.51 J/mol×K 298.15 NIST
η [0.0002849; 0.0030911] Pa×s [176.84; 339.58] Show Hide
η 0.0030911 Pa×s 176.84 Joback Calculated Property
η 0.0015952 Pa×s 203.96 Joback Calculated Property
η 0.0009615 Pa×s 231.09 Joback Calculated Property
η 0.0006446 Pa×s 258.21 Joback Calculated Property
η 0.0004663 Pa×s 285.33 Joback Calculated Property
η 0.0003568 Pa×s 312.46 Joback Calculated Property
η 0.0002849 Pa×s 339.58 Joback Calculated Property
ΔfusH [10.77; 11.10] kJ/mol [176.28; 176.80] Show Hide
ΔfusH 10.77 kJ/mol 176.28 NIST
ΔfusH 11.09 kJ/mol 176.80 NIST
ΔfusH 11.10 kJ/mol 176.80 NIST
ΔvapH [31.51; 34.20] kJ/mol [305.50; 347.90] Show Hide
ΔvapH 33.90 kJ/mol 305.50 NIST
ΔvapH 34.20 kJ/mol 321.00 NIST
ΔvapH 33.30 kJ/mol 325.50 NIST
ΔvapH 32.90 kJ/mol 339.00 NIST
ΔvapH 31.51 kJ/mol 347.90 KDB
n0 1.38390 293.15 Liquid ...
ρl [771.30; 802.00] kg/m3 [293.00; 323.15] Show Hide
ρl 802.00 kg/m3 293.00 KDB
ρl 796.99 kg/m3 298.15 Binary ...
ρl 791.80 kg/m3 303.15 Binary ...
ρl 786.41 kg/m3 308.15 Binary ...
ρl 781.37 kg/m3 313.15 Binary ...
ρl 776.39 kg/m3 318.15 Binary ...
ρl 771.30 kg/m3 323.15 Binary ...
ΔfusS [61.11; 62.81] J/mol×K [176.28; 176.80] Show Hide
ΔfusS 61.11 J/mol×K 176.28 NIST
ΔfusS 62.81 J/mol×K 176.80 NIST
γ 0.02 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [256.01; 370.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45982e+01
Coefficient B-3.03353e+03
Coefficient C-4.40350e+01
Temperature range, min.256.01
Temperature range, max.370.69
Pvap 1.33 kPa 256.01 Calculated Property
Pvap 3.00 kPa 268.75 Calculated Property
Pvap 6.19 kPa 281.49 Calculated Property
Pvap 11.87 kPa 294.24 Calculated Property
Pvap 21.36 kPa 306.98 Calculated Property
Pvap 36.40 kPa 319.72 Calculated Property
Pvap 59.19 kPa 332.46 Calculated Property
Pvap 92.36 kPa 345.21 Calculated Property
Pvap 139.01 kPa 357.95 Calculated Property
Pvap 202.66 kPa 370.69 Calculated Property
Pvap [2.63e-04; 4452.12] kPa [176.75; 535.36] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.06744e+02
Coefficient B-7.59444e+03
Coefficient C-1.39976e+01
Coefficient D1.32212e-05
Temperature range, min.176.75
Temperature range, max.535.36
Pvap 2.63e-04 kPa 176.75 Calculated Property
Pvap 0.05 kPa 216.60 Calculated Property
Pvap 1.43 kPa 256.44 Calculated Property
Pvap 13.56 kPa 296.29 Calculated Property
Pvap 67.53 kPa 336.13 Calculated Property
Pvap 224.56 kPa 375.98 Calculated Property
Pvap 576.41 kPa 415.82 Calculated Property
Pvap 1251.51 kPa 455.67 Calculated Property
Pvap 2440.54 kPa 495.51 Calculated Property
Pvap 4452.12 kPa 535.36 Calculated Property

Similar Compounds

Pentanal. Hexanal. Glutaraldehyde. Heptanal. octacosanal. hexacosanal. Octadecanal. Pentacosanal. Hexadecanal. Nonanal. Decanal. Eicosanal. Tridecanal. Pentadecanal-. Heptadecanal-.

Find more compounds similar to Butanal.

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.