Chemical Properties of 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS 106-26-3)

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

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-YFHOEESVSA-N
Formula
C10H16O
SMILES
CC(C)=CCCC(C)=CC=O
Molecular Weight1
152.23
CAS
106-26-3
Other Names
  • «beta»-Citral
  • cis-Citral
  • cis-3,7-Dimethyl-2,6-octadienal
  • beta-Citral
  • Neral
  • Z-Citral
  • (Z)-3,7-Dimethyl-2,6-octadienal
  • Citral B
  • (2Z)-3,7-Dimethyl-2,6-octadienal
  • 2,6-Octadienal, 3,7-dimethyl-, (2Z)-
  • (Z)-Neral
  • Neroli aldehyde
  • Z-Citral (neral)
  • (Z)-3,7-dimethylocta-2,6-dienal
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Physical Properties

Property Value Unit Source
ΔfH°gas -171.03 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.73 kJ/mol Joback Calculated Property
ΔvapH° 60.20 kJ/mol NIST
IE 8.90 eV Relay (1.0) Calculated Property
log10WS -2.40 Relay (1.0) Calculated Property
logPoct/wat 2.878 Crippen Calculated Property
McVol 144.730 ml/mol McGowan Calculated Property
Inp [1204.00; 1278.00]   Show Hide
Inp 1213.25 NIST
Inp 1215.50 NIST
Inp 1217.84 NIST
Inp 1220.26 NIST
Inp 1222.79 NIST
Inp 1225.45 NIST
Inp 1228.09 NIST
Inp 1230.89 NIST
Inp 1233.68 NIST
Inp 1207.12 NIST
Inp 1209.05 NIST
Inp 1211.09 NIST
Inp 1220.40 NIST
Inp 1216.00 NIST
Inp 1223.00 NIST
Inp 1216.00 NIST
Inp 1214.00 NIST
Inp 1249.00 NIST
Inp 1245.00 NIST
Inp 1244.00 NIST
Inp 1244.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp 1236.00 NIST
Inp 1227.00 NIST
Inp 1256.00 NIST
Inp 1248.00 NIST
Inp 1222.00 NIST
Inp 1239.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1217.00 NIST
Inp 1238.00 NIST
Inp 1215.00 NIST
Inp 1222.00 NIST
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Inp 1240.00 NIST
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Inp 1220.00 NIST
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Inp 1243.00 NIST
Inp 1242.00 NIST
Inp 1231.00 NIST
Inp 1244.00 NIST
Inp 1245.00 NIST
Inp 1245.00 NIST
Inp 1214.00 NIST
Inp 1211.00 NIST
Inp 1240.00 NIST
Inp 1235.00 NIST
Inp 1214.00 NIST
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Inp 1216.00 NIST
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Inp 1221.00 NIST
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Inp 1231.00 NIST
Inp 1236.00 NIST
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Inp 1244.00 NIST
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Inp 1212.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1235.00 NIST
Inp 1214.00 NIST
Inp Outlier 1273.00 NIST
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Inp 1247.00 NIST
Inp 1245.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
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Inp 1239.00 NIST
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Inp 1213.00 NIST
Inp 1213.00 NIST
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Inp 1248.00 NIST
Inp 1231.00 NIST
Inp 1231.00 NIST
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Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1228.00 NIST
Inp 1241.00 NIST
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Inp 1208.00 NIST
Inp 1231.00 NIST
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Inp 1219.00 NIST
Inp 1213.00 NIST
Inp 1248.00 NIST
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Inp 1235.00 NIST
Inp 1238.00 NIST
Inp 1248.00 NIST
Inp 1238.00 NIST
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Inp 1237.00 NIST
Inp 1237.00 NIST
Inp 1235.00 NIST
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Inp 1238.00 NIST
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Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1239.00 NIST
Inp 1249.00 NIST
Inp 1241.00 NIST
Inp 1244.00 NIST
Inp Outlier 1276.00 NIST
Inp 1236.00 NIST
Inp 1242.00 NIST
Inp 1244.00 NIST
Inp 1239.00 NIST
Inp 1216.00 NIST
Inp 1238.00 NIST
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Inp 1238.00 NIST
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Inp 1262.00 NIST
Inp 1227.00 NIST
Inp Outlier 1268.00 NIST
Inp 1236.00 NIST
Inp 1240.00 NIST
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Inp 1215.00 NIST
Inp 1208.00 NIST
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Inp 1249.00 NIST
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Inp 1248.00 NIST
Inp 1235.00 NIST
Inp 1244.00 NIST
Inp 1215.00 NIST
Inp 1245.00 NIST
Inp 1236.00 NIST
Inp 1237.00 NIST
Inp Outlier 1265.00 NIST
Inp 1211.00 NIST
Inp 1240.00 NIST
Inp 1243.00 NIST
Inp 1240.00 NIST
Inp 1244.00 NIST
Inp 1239.00 NIST
Inp Outlier 1278.00 NIST
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Inp 1223.00 NIST
Inp 1240.00 NIST
Inp 1217.00 NIST
Inp 1204.00 NIST
Inp 1241.00 NIST
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Inp 1232.00 NIST
Inp 1238.00 NIST
Inp 1228.00 NIST
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Inp 1239.00 NIST
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Inp 1225.00 NIST
Inp 1238.00 NIST
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Inp 1209.00 NIST
Inp 1211.00 NIST
Inp 1218.00 NIST
Inp Outlier 1267.00 NIST
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Inp 1237.00 NIST
Inp 1213.00 NIST
Inp 1234.00 NIST
Inp 1258.00 NIST
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Inp 1238.00 NIST
Inp 1243.00 NIST
Inp 1247.00 NIST
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Inp 1240.00 NIST
Inp 1247.00 NIST
Inp Outlier 1277.00 NIST
Inp Outlier 1271.00 NIST
Inp 1255.00 NIST
Inp 1240.00 NIST
Inp 1242.00 NIST
Inp 1240.00 NIST
Inp 1235.00 NIST
Inp 1226.00 NIST
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Inp 1238.00 NIST
Inp 1244.00 NIST
Inp 1248.00 NIST
Inp 1235.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1237.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1217.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp Outlier 1270.00 NIST
Inp Outlier 1270.00 NIST
Inp 1239.00 NIST
Inp 1237.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1244.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1238.00 NIST
Inp Outlier 1270.00 NIST
Inp 1215.00 NIST
Inp 1211.00 NIST
Inp 1227.00 NIST
Inp Outlier 1270.00 NIST
Inp 1218.00 NIST
Inp 1230.00 NIST
Inp Outlier 1277.00 NIST
Inp 1241.00 NIST
Inp 1240.00 NIST
Inp 1218.00 NIST
Inp 1227.00 NIST
Inp 1220.00 NIST
Inp 1248.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1215.00 NIST
Inp 1235.00 NIST
Inp Outlier 1270.00 NIST
Inp 1222.00 NIST
Inp 1213.25 NIST
Inp 1225.45 NIST
Inp 1209.05 NIST
Inp 1216.00 NIST
Ip [1630.00; 1729.00]   Show Hide
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Ip Outlier 1633.00 NIST
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Ip Outlier 1632.00 NIST
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Ip 1678.00 NIST
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Ip 1682.00 NIST
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Ip Outlier 1633.00 NIST
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Ip 1693.00 NIST
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Ip 1686.00 NIST
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Ip 1692.00 NIST
Ip Outlier 1630.00 NIST
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Ip 1671.00 NIST
Ip 1680.00 NIST
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Ip Outlier 1720.00 NIST
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Ip 1705.00 NIST
Ip 1666.00 NIST
Ip 1680.00 NIST
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Ip 1647.00 NIST
Ip 1680.00 NIST
Ip 1676.00 NIST
Ip 1641.00 NIST
Ip 1696.00 NIST
Ip 1688.00 NIST
Ip 1681.00 NIST
Ip 1695.00 NIST
Ip 1702.00 NIST
Ip 1649.00 NIST
Ip 1679.00 NIST
Ip 1692.00 NIST
Ip 1656.00 NIST
Ip 1667.00 NIST
Ip 1645.00 NIST
Ip 1674.00 NIST
Ip 1697.00 NIST
Ip Outlier 1724.00 NIST
Ip 1686.00 NIST
Ip 1671.00 NIST
Ip Outlier 1720.00 NIST
Tboil 492.89 K Relay (1.0) Calculated Property
Tfus 221.48 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [194.83; 464.31] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.25480e+01
Coefficient B9.68160e-01
Coefficient C-6.85400e-04
Coefficient D2.04100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 194.83 J/mol×K 273.00 Calculated Property
Cp,gas 243.22 J/mol×K 353.78 Calculated Property
Cp,gas 285.49 J/mol×K 434.56 Calculated Property
Cp,gas 322.29 J/mol×K 515.33 Calculated Property
Cp,gas 354.26 J/mol×K 596.11 Calculated Property
Cp,gas 382.05 J/mol×K 676.89 Calculated Property
Cp,gas 406.31 J/mol×K 757.67 Calculated Property
Cp,gas 427.67 J/mol×K 838.44 Calculated Property
Cp,gas 446.79 J/mol×K 919.22 Calculated Property
Cp,gas 464.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,6-Octadienal, 3,7-dimethyl-. 2,6-Octadienal, 3,7-dimethyl-, (E)-. (E,Z)-2,6-Farnesal. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-. 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-. 3,7-NONADIEN-2-ONE, 4,8-DIMETHYL-. 2,6-Octadiene, 2,6-dimethyl-. 2,6-Dimethyl-2-trans-6-octadiene. 1,5-Cyclooctadiene, 1,5-dimethyl-. Squalene. Supraene. 11-methylsqualene. 2-cis,6-cis-Farnesol. 2,6(E),10(E),14,18-Icosapentaene, 2,6,11,15,19-pentamethyl. 10-Demethylsqualene.

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

Sources

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