Chemical Properties of Butanal, 2-ethyl- (CAS 97-96-1)

Butanal, 2-ethyl-

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InChI
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChI Key
UNNGUFMVYQJGTD-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCC(C=O)CC
Molecular Weight1
100.16
CAS
97-96-1
Other Names
  • (C2H5)2CHCHO
  • 2-Ethylbutanal
  • 2-Ethylbutyraldehyde
  • 2-Ethylbutyric aldehyde
  • 2-Ethylbutyric aledhyde
  • 3-Formylpentane
  • Aldehyde 2-ethylbutyrique
  • Butyraldehyde, 2-ethyl-
  • Diethylacetaldehyde
  • NSC 6757
  • UN 1178
  • «alpha»-Ethylbutanal
  • «alpha»-Ethylbutyraldehyde
  • «alpha»-Ethylbutanal
  • «alpha»-Ethylbutyraldehyde

Physical Properties

Property Value Unit Source
EA 0.00 ± 0.00 eV NIST
Δf -102.32 kJ/mol Joback Calculated Property
Δfgas -258.03 kJ/mol Joback Calculated Property
Δfus 10.06 kJ/mol Joback Calculated Property
Δvap 35.28 kJ/mol Joback Calculated Property
IE 9.54 eV NIST
log10WS [-1.52; -1.52]   Show Hide
log10WS -1.52 Aq. Sol...
log10WS -1.52 Estimat...
logPoct/wat 1.621 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Inp [740.26; 773.00]   Show Hide
Inp 748.85 NIST
Inp 740.26 NIST
Inp 742.07 NIST
Inp 743.96 NIST
Inp 746.25 NIST
Inp 749.00 NIST
Inp 742.00 NIST
Inp 744.00 NIST
Inp 746.00 NIST
Inp 742.00 NIST
Inp Outlier 773.00 NIST
Inp 742.00 NIST
Inp 742.00 NIST
Inp 762.00 NIST
I [1004.00; 1040.30]   Show Hide
I 1040.30 NIST
I 1018.00 NIST
I 1025.30 NIST
I 1032.70 NIST
I 1004.00 NIST
I 1007.00 NIST
I 1018.00 NIST
I 1040.30 NIST
Tboil 384.90 K Joback Calculated Property
Tc 561.39 K Joback Calculated Property
Tfus [184.00; 184.15] K Show Hide
Tfus 184.15 K NIST
Tfus 184.00 ± 4.00 K NIST
Tfus 184.00 ± 5.00 K NIST
Vc 0.383 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [179.50; 234.32] J/mol×K [384.90; 561.39] Show Hide
Cp,gas 179.50 J/mol×K 384.90 Joback Calculated Property
Cp,gas 189.59 J/mol×K 414.32 Joback Calculated Property
Cp,gas 199.28 J/mol×K 443.73 Joback Calculated Property
Cp,gas 208.60 J/mol×K 473.15 Joback Calculated Property
Cp,gas 217.54 J/mol×K 502.56 Joback Calculated Property
Cp,gas 226.11 J/mol×K 531.98 Joback Calculated Property
Cp,gas 234.32 J/mol×K 561.39 Joback Calculated Property
η [0.0003084; 0.0070161] Pa×s [184.38; 384.90] Show Hide
η 0.0070161 Pa×s 184.38 Joback Calculated Property
η 0.0027952 Pa×s 217.80 Joback Calculated Property
η 0.0014226 Pa×s 251.22 Joback Calculated Property
η 0.0008484 Pa×s 284.64 Joback Calculated Property
η 0.0005641 Pa×s 318.06 Joback Calculated Property
η 0.0004053 Pa×s 351.48 Joback Calculated Property
η 0.0003084 Pa×s 384.90 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [294.62; 412.62] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57429e+01
Coefficient B-3.78669e+03
Coefficient C-4.96120e+01
Temperature range, min.294.62
Temperature range, max.412.62
Pvap 1.33 kPa 294.62 Calculated Property
Pvap 2.92 kPa 307.73 Calculated Property
Pvap 5.94 kPa 320.84 Calculated Property
Pvap 11.31 kPa 333.95 Calculated Property
Pvap 20.34 kPa 347.06 Calculated Property
Pvap 34.81 kPa 360.18 Calculated Property
Pvap 57.05 kPa 373.29 Calculated Property
Pvap 89.96 kPa 386.40 Calculated Property
Pvap 137.09 kPa 399.51 Calculated Property
Pvap 202.66 kPa 412.62 Calculated Property

Similar Compounds

Butanal, 2-ethyl-3-methyl-. 2-Pentanone, 3-ethyl-. Pentanal, 2-methyl-. (S)-2-methylbutanal. Butanal, 2-methyl-. Hexanal, 2-ethyl-. 2-propyl hexanal. 2-Pentanone, 3-methyl-. Pentanal, 2,3-dimethyl-. Cyclopentanecarboxaldehyde. Pentanal, 3-methyl-. Hexanal, 2-methyl-. Heptanal, 2-methyl-. 2-Methyl-decanal. Undecanal, 2-methyl-.

Find more compounds similar to Butanal, 2-ethyl-.

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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