Chemical Properties of 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS 141-27-5)

2,6-Octadienal, 3,7-dimethyl-, (E)-

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InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChI Key
WTEVQBCEXWBHNA-JXMROGBWSA-N
Formula
C10H16O
SMILES
CC(C)=CCCC(C)=CC=O
Molecular Weight1
152.23
CAS
141-27-5
Other Names
  • «alpha»-Citral
  • (E)-Citral
  • trans-Citral
  • trans-3,7-Dimethyl-2,6-octadienal
  • Citral a
  • Geranaldehyde
  • Geranial
  • Citral «alpha»
  • (E)-3,7-Dimethyl-2,6-octadienal
  • (E)-3,7-Dimethylocta-2,6-dienal
  • trans-3,7-dimethyl-octa-2,6-dienal
  • (E)-Geranial
  • (E)-Neral
  • 2,6-Octadienal, 3,7-dimethyl-, (2E)-
  • «beta»-Geranial
  • trans-3,7-dimethyl-2,6-octadienal (geranial)
  • E-Citral (geranial)
  • geranial («alpha»-Citral)
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Physical Properties

Property Value Unit Source
Δf 77.14 kJ/mol Joback Calculated Property
Δfgas -120.45 kJ/mol Joback Calculated Property
Δfus 21.73 kJ/mol Joback Calculated Property
Δvap [61.00; 62.50] kJ/mol Show Hide
Δvap 62.50 kJ/mol NIST
Δvap 61.00 kJ/mol NIST
log10WS -3.00 Crippen Calculated Property
logPoct/wat 2.878 Crippen Calculated Property
McVol 144.730 ml/mol McGowan Calculated Property
Pc 2525.19 kPa Joback Calculated Property
Inp [1218.00; 1287.00]   Show Hide
Inp 1250.00 NIST
Inp 1249.00 NIST
Inp 1287.00 NIST
Inp 1271.00 NIST
Inp 1270.00 NIST
Inp 1269.00 NIST
Inp 1278.00 NIST
Inp 1244.00 NIST
Inp 1277.00 NIST
Inp 1269.00 NIST
Inp 1268.00 NIST
Inp 1275.00 NIST
Inp 1269.00 NIST
Inp 1271.00 NIST
Inp 1279.00 NIST
Inp 1244.00 NIST
Inp 1273.00 NIST
Inp 1241.00 NIST
Inp 1268.00 NIST
Inp 1246.00 NIST
Inp Outlier 1218.00 NIST
Inp 1267.00 NIST
Inp 1267.00 NIST
Inp 1270.00 NIST
Inp 1249.00 NIST
Inp 1270.00 NIST
Inp 1236.00 NIST
Inp 1267.00 NIST
Inp 1260.00 NIST
Inp Outlier 1223.00 NIST
Inp 1268.00 NIST
Inp 1252.00 NIST
Inp 1252.00 NIST
Inp 1270.00 NIST
Inp 1240.00 NIST
Inp 1239.00 NIST
Inp 1268.00 NIST
Inp 1273.00 NIST
Inp 1275.00 NIST
Inp 1268.00 NIST
Inp 1270.00 NIST
Inp 1271.00 NIST
Inp 1271.00 NIST
Inp 1275.00 NIST
Inp 1267.00 NIST
Inp 1270.00 NIST
Inp 1241.00 NIST
Inp 1262.00 NIST
Inp 1265.00 NIST
Inp 1264.00 NIST
Inp 1272.00 NIST
Inp 1270.00 NIST
Inp 1272.00 NIST
Inp 1249.00 NIST
Inp 1250.00 NIST
I [1714.00; 1744.00]   Show Hide
I 1733.00 NIST
I 1714.00 NIST
I 1731.00 NIST
I 1718.00 NIST
I 1729.00 NIST
I 1725.00 NIST
I 1730.00 NIST
I 1743.00 NIST
I 1737.00 NIST
I 1721.00 NIST
I 1744.00 NIST
I 1726.00 NIST
I 1738.00 NIST
I 1741.00 NIST
I 1735.00 NIST
Tboil 502.20 K NIST
Tc 675.98 K Joback Calculated Property
Tfus 206.38 K Joback Calculated Property
Vc 0.575 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [309.04; 381.76] J/mol×K [484.94; 675.98] Show Hide
Cp,gas 309.04 J/mol×K 484.94 Joback Calculated Property
Cp,gas 322.90 J/mol×K 516.78 Joback Calculated Property
Cp,gas 336.01 J/mol×K 548.62 Joback Calculated Property
Cp,gas 348.41 J/mol×K 580.46 Joback Calculated Property
Cp,gas 360.14 J/mol×K 612.30 Joback Calculated Property
Cp,gas 371.25 J/mol×K 644.14 Joback Calculated Property
Cp,gas 381.76 J/mol×K 675.98 Joback Calculated Property
ΔvapH 54.90 kJ/mol 437.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 391.70 K 2.70 NIST

Similar Compounds

2,6-Octadienal, 3,7-dimethyl-, (Z)-. 2,6-Octadienal, 3,7-dimethyl-. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-. (E,Z)-2,6-Farnesal. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-. (E,Z)-Farnesal. 3,7-Nonadien-2-one, 4,8-dimethyl-. 2,6-Octadiene, 2,6-dimethyl-. 2,6-Dimethyl-2-trans-6-octadiene. 2,6-Dimethyl-2-trans-6-octadiene. 1,5-Cyclooctadiene, 1,5-dimethyl-. Supraene. Squalene. 11-methylsqualene. 2-cis,6-cis-Farnesol.

Find more compounds similar to 2,6-Octadienal, 3,7-dimethyl-, (E)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.