Chemical Properties of Propanal (CAS 123-38-6)

Propanal

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InChI
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChI Key
NBBJYMSMWIIQGU-UHFFFAOYSA-N
Formula
C3H6O
SMILES
CCC=O
Molecular Weight1
58.08
CAS
123-38-6
Other Names
  • 1-Propanal
  • 1-Propanone
  • Aldehyde propionique
  • C2H5CHO
  • METHYLACETALDEHYDE
  • NCI-C61029
  • NSC 6493
  • PROPIONIC ALDEHYDE
  • Propaldehyde
  • Propanalaldehyde
  • Propanaldehyde
  • Propional
  • Propionaldehyde
  • Proprionaldehyde
  • Propylaldehyde
  • Propylic aldehyde
  • UN 1275
  • ethanecarbaldehyde
  • ethylcarboxaldehyde
  • n-Propanal
  • n-Propionaldehyde

Physical Properties

Property Value Unit Source
ω 0.3130 KDB
PAff 786.00 kJ/mol NIST
BasG 754.00 kJ/mol NIST
Δcliquid -1816.50 ± 0.75 kJ/mol NIST
μ 2.52 debye KDB
EA 9.99e-04 ± 8.70e-05 eV NIST
Δf -130.50 kJ/mol KDB
Δfgas [-192.20; -186.00] kJ/mol Show Hide
Δfgas -192.20 kJ/mol KDB
Δfgas -188.70 ± 0.75 kJ/mol NIST
Δfgas -186.00 ± 1.50 kJ/mol NIST
Δfgas -190.60 ± 0.88 kJ/mol NIST
Δfgas -192.00 kJ/mol NIST
Δfliquid [-221.50; -215.70] kJ/mol Show Hide
Δfliquid -218.30 ± 0.63 kJ/mol NIST
Δfliquid -215.70 ± 1.50 kJ/mol NIST
Δfliquid -220.20 ± 0.96 kJ/mol NIST
Δfliquid -221.50 ± 0.75 kJ/mol NIST
Δfus 5.82 kJ/mol Joback Calculated Property
Δvap [29.50; 30.00] kJ/mol Show Hide
Δvap 29.96 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 29.64 ± 0.07 kJ/mol NIST
Δvap 29.70 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 29.70 ± 0.40 kJ/mol NIST
Δvap 29.70 ± 0.40 kJ/mol NIST
Δvap 29.60 kJ/mol NIST
Δvap 30.00 kJ/mol NIST
Δvap 30.00 kJ/mol NIST
Δvap 29.50 kJ/mol NIST
IE [9.82; 9.99] eV Show Hide
IE 9.96 ± 0.01 eV NIST
IE 9.96 eV NIST
IE 9.96 eV NIST
IE Outlier 9.82 ± 0.14 eV NIST
IE 9.95 eV NIST
IE 9.95 ± 0.01 eV NIST
IE 9.99 eV NIST
IE 9.97 ± 0.01 eV NIST
IE 9.94 eV NIST
IE 9.98 ± 0.01 eV NIST
IE 9.96 eV NIST
IE 9.85 eV NIST
log10WS [0.58; 0.58]   Show Hide
log10WS 0.58 Aq. Sol...
log10WS 0.58 Estimat...
logPoct/wat 0.595 Crippen Calculated Property
McVol 54.700 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 2 KDB
NFPA Safety 1 KDB
Pc [5260.00; 6869.84] kPa Show Hide
Pc 5270.00 kPa KDB
Pc 5260.00 ± 60.00 kPa NIST
Pc 5270.00 ± 100.00 kPa NIST
Pc 5270.00 ± 100.00 kPa NIST
Pc 6869.83 kPa NIST
Pc 6869.84 ± 202.60 kPa NIST
ρc 285.17 ± 5.23 kg/m3 NIST
Inp [437.00; 511.00]   Show Hide
Inp 473.63 NIST
Inp 473.70 NIST
Inp 473.50 NIST
Inp 473.30 NIST
Inp 472.71 NIST
Inp 473.10 NIST
Inp 472.74 NIST
Inp 473.04 NIST
Inp 474.00 NIST
Inp 473.00 NIST
Inp 473.00 NIST
Inp 473.00 NIST
Inp 480.00 NIST
Inp 443.00 NIST
Inp 479.00 NIST
Inp 456.00 NIST
Inp 460.00 NIST
Inp 455.00 NIST
Inp Outlier 437.00 NIST
Inp 461.00 NIST
Inp 470.00 NIST
Inp 475.00 NIST
Inp Outlier 437.00 NIST
Inp 460.00 NIST
Inp 460.00 NIST
Inp 451.00 NIST
Inp 455.00 NIST
Inp 472.00 NIST
Inp Outlier 506.00 NIST
Inp 468.00 NIST
Inp 473.00 NIST
Inp 452.00 NIST
Inp 480.00 NIST
Inp 450.00 NIST
Inp Outlier 511.00 NIST
Inp 498.00 NIST
Inp 473.00 NIST
Inp 464.00 NIST
Inp 479.00 NIST
Inp 464.00 NIST
Inp 500.00 NIST
Inp 461.00 NIST
Inp 500.00 NIST
Inp 480.00 NIST
Inp Outlier 506.00 NIST
Inp 473.63 NIST
Inp 473.10 NIST
Inp 473.00 NIST
Inp 456.00 NIST
Inp 470.00 NIST
Inp 451.00 NIST
Inp Outlier 511.00 NIST
Inp 464.00 NIST
I [747.00; 828.00]   Show Hide
I 816.50 NIST
I 808.80 NIST
I 810.40 NIST
I 812.90 NIST
I Outlier 748.00 NIST
I 798.00 NIST
I 784.00 NIST
I 784.00 NIST
I 762.00 NIST
I 762.00 NIST
I 762.00 NIST
I 807.00 NIST
I 801.00 NIST
I 800.00 NIST
I 784.00 NIST
I 801.00 NIST
I 801.00 NIST
I 801.00 NIST
I 800.00 NIST
I 784.00 NIST
I 823.00 NIST
I 783.00 NIST
I 808.00 NIST
I 784.00 NIST
I 826.00 NIST
I 827.00 NIST
I 828.00 NIST
I 798.00 NIST
I 797.00 NIST
I 800.00 NIST
I 790.00 NIST
I 799.00 NIST
I 790.00 NIST
I 788.00 NIST
I 816.00 NIST
I Outlier 747.00 NIST
I 804.00 NIST
I 780.00 NIST
I 763.00 NIST
I 769.00 NIST
I 809.00 NIST
I 816.00 NIST
I 790.00 NIST
I 782.00 NIST
I 784.00 NIST
I 795.00 NIST
I 762.00 NIST
I 800.00 NIST
I 784.00 NIST
I 823.00 NIST
I 827.00 NIST
I 790.00 NIST
gas 304.40 ± 1.60 J/mol×K NIST
liquid 212.90 J/mol×K NIST
Tboil [319.40; 341.65] K Show Hide
Tboil 321.00 K KDB
Tboil 321.20 K Isobari...
Tboil 321.18 K Isobari...
Tboil 322.00 K NIST
Tboil 321.10 K NIST
Tboil 321.12 ± 0.20 K NIST
Tboil 321.17 ± 0.30 K NIST
Tboil 321.17 ± 0.05 K NIST
Tboil 321.15 K NIST
Tboil 322.15 ± 1.00 K NIST
Tboil 321.00 ± 0.10 K NIST
Tboil 321.15 ± 0.50 K NIST
Tboil 320.55 ± 0.50 K NIST
Tboil 324.15 ± 3.00 K NIST
Tboil 321.08 ± 0.50 K NIST
Tboil 321.65 ± 1.00 K NIST
Tboil 323.44 ± 0.10 K NIST
Tboil 323.44 ± 0.10 K NIST
Tboil 321.85 ± 0.50 K NIST
Tboil 321.15 ± 0.30 K NIST
Tboil 321.20 ± 0.30 K NIST
Tboil 319.40 ± 0.40 K NIST
Tboil 322.65 ± 2.00 K NIST
Tboil 321.25 ± 0.50 K NIST
Tboil 322.65 ± 1.00 K NIST
Tboil 323.15 ± 2.00 K NIST
Tboil 321.15 ± 0.50 K NIST
Tboil 321.15 ± 2.00 K NIST
Tboil 320.85 ± 2.00 K NIST
Tboil 322.15 ± 1.00 K NIST
Tboil 322.65 ± 2.00 K NIST
Tboil Outlier 341.15 K NIST
Tboil 321.15 ± 3.00 K NIST
Tboil 322.15 ± 2.00 K NIST
Tboil 321.40 ± 2.00 K NIST
Tboil Outlier 341.65 K NIST
Tboil 322.15 ± 2.00 K NIST
Tboil 323.15 ± 2.00 K NIST
Tboil 321.15 ± 2.00 K NIST
Tboil 321.20 ± 0.50 K NIST
Tboil 321.70 ± 2.00 K NIST
Tboil 321.70 ± 2.00 K NIST
Tboil 321.92 ± 1.00 K NIST
Tboil 323.45 ± 2.00 K NIST
Tc [496.20; 805.75] K Show Hide
Tc 504.40 K KDB
Tc 504.40 ± 0.70 K NIST
Tc 509.10 ± 4.00 K NIST
Tc 504.40 ± 1.20 K NIST
Tc 496.20 K NIST
Tc Outlier 805.75 K NIST
Tc 532.60 ± 2.00 K NIST
Tfus [170.20; 193.15] K Show Hide
Tfus 193.00 K KDB
Tfus 192.65 K Aq. Sol...
Tfus 193.15 K NIST
Tfus 170.20 ± 1.00 K NIST
Tfus 193.00 ± 8.00 K NIST
Tfus 193.00 ± 2.00 K NIST
Tfus 171.00 ± 4.00 K NIST
Tfus 171.60 ± 0.60 K NIST
Tfus 193.10 ± 2.00 K NIST
Tfus 192.00 ± 5.00 K NIST
Ttriple [171.15; 171.32] K Show Hide
Ttriple 171.32 ± 0.01 K NIST
Ttriple 171.15 ± 0.10 K NIST
Ttriple 171.32 ± 0.05 K NIST
Vc 0.204 m3/kmol KDB
Zc 0.2563470 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [84.53; 92.22] J/mol×K [325.04; 374.50] Show Hide
Cp,gas 84.53 J/mol×K 325.04 NIST
Cp,gas 88.39 J/mol×K 350.07 NIST
Cp,gas 92.22 J/mol×K 374.50 NIST
Cp,liquid [134.70; 159.10] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 134.70 J/mol×K 298.00 NIST
Cp,liquid 159.10 J/mol×K 298.15 NIST
η [0.0002500; 0.0003400] Pa×s [293.15; 323.15] Show Hide
η 0.0003400 Pa×s 293.15 Studies...
η 0.0003300 Pa×s 298.15 Studies...
η 0.0003100 Pa×s 303.15 Studies...
η 0.0003000 Pa×s 308.15 Studies...
η 0.0002800 Pa×s 313.15 Studies...
η 0.0002700 Pa×s 318.15 Studies...
η 0.0002500 Pa×s 323.15 Studies...
ΔfusH [8.59; 8.59] kJ/mol [171.30; 171.32] Show Hide
ΔfusH 8.59 kJ/mol 171.30 NIST
ΔfusH 8.59 kJ/mol 171.30 NIST
ΔfusH 8.59 kJ/mol 171.32 NIST
ΔvapH [28.28; 31.90] kJ/mol [286.00; 322.00] Show Hide
ΔvapH 30.30 kJ/mol 286.00 NIST
ΔvapH 31.90 kJ/mol 290.00 NIST
ΔvapH 29.40 kJ/mol 303.00 NIST
ΔvapH 30.50 kJ/mol 303.50 NIST
ΔvapH 30.30 kJ/mol 306.00 NIST
ΔvapH 31.50 kJ/mol 318.00 NIST
ΔvapH 28.30 kJ/mol 321.00 NIST
ΔvapH 28.32 kJ/mol 321.08 NIST
ΔvapH 28.31 kJ/mol 321.10 NIST
ΔvapH 28.28 kJ/mol 322.00 KDB
Pvap [101.30; 101.33] kPa [321.18; 321.20] Show Hide
Pvap 101.33 kPa 321.18 Isobari...
Pvap 101.30 kPa 321.20 Isobari...
n0 [1.36340; 1.36440]   [293.15; 298.15] Show Hide
n0 1.36440 293.15 Liquid-...
n0 1.36340 298.15 Isobari...
ρl [768.20; 807.26] kg/m3 [288.14; 323.15] Show Hide
ρl 807.26 kg/m3 288.14 Isobari...
ρl 797.00 kg/m3 293.00 KDB
ρl 802.40 kg/m3 293.15 Studies...
ρl 801.06 kg/m3 293.15 Isobari...
ρl 796.20 kg/m3 298.15 Studies...
ρl 794.85 kg/m3 298.15 Isobari...
ρl 797.21 kg/m3 298.15 Isobari...
ρl 794.85 kg/m3 298.15 Isobari...
ρl 788.72 kg/m3 303.15 Isobari...
ρl 790.30 kg/m3 303.15 Studies...
ρl 784.50 kg/m3 308.15 Studies...
ρl 782.55 kg/m3 308.16 Isobari...
ρl 779.00 kg/m3 313.15 Studies...
ρl 776.53 kg/m3 313.15 Isobari...
ρl 773.50 kg/m3 318.15 Studies...
ρl 768.20 kg/m3 323.15 Studies...
γ 0.03 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 4930.36] kPa [234.50; 504.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47097e+01
Coefficient B-2.94067e+03
Coefficient C-3.05940e+01
Temperature range, min.234.50
Temperature range, max.504.40
Pvap 1.33 kPa 234.50 Calculated Property
Pvap 8.47 kPa 264.49 Calculated Property
Pvap 35.37 kPa 294.48 Calculated Property
Pvap 110.28 kPa 324.47 Calculated Property
Pvap 278.56 kPa 354.46 Calculated Property
Pvap 601.34 kPa 384.44 Calculated Property
Pvap 1151.08 kPa 414.43 Calculated Property
Pvap 2005.47 kPa 444.42 Calculated Property
Pvap 3241.50 kPa 474.41 Calculated Property
Pvap 4930.36 kPa 504.40 Calculated Property
Pvap [0.03; 5270.90] kPa [193.15; 503.80] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.88602e+01
Coefficient B-5.65981e+03
Coefficient C-8.22110e+00
Coefficient D8.26260e-06
Temperature range, min.193.15
Temperature range, max.503.80
Pvap 0.03 kPa 193.15 Calculated Property
Pvap 0.82 kPa 227.67 Calculated Property
Pvap 7.82 kPa 262.18 Calculated Property
Pvap 40.90 kPa 296.70 Calculated Property
Pvap 144.53 kPa 331.22 Calculated Property
Pvap 391.51 kPa 365.73 Calculated Property
Pvap 881.48 kPa 400.25 Calculated Property
Pvap 1741.22 kPa 434.77 Calculated Property
Pvap 3132.57 kPa 469.28 Calculated Property
Pvap 5270.90 kPa 503.80 Calculated Property

Similar Compounds

Propanoyl. Propanedial. CHCH2CH3. 2-C3H7+. CH3CD2CH3. Propane. Propane-d8. n-Propyl radical. Propane-2-13c. Butanal. Propanal, 2-methyl-. Propanoyl chloride. EtCO2 anion. Methyl glyoxal. propionyl fluoride.

Find more compounds similar to Propanal.

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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