- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 77.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.20 | 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 | [1204.00; 1278.00] |
|
|
| 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 | |
| Inp | 1222.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1239.00 | NIST | |
| 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 | |
| Inp | 1218.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1214.00 | NIST | |
| 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 | |
| Inp | 1241.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1231.00 | NIST | |
| 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 | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | Outlier 1268.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1220.00 | NIST | |
| 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 | |
| Inp | 1213.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | Outlier 1267.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1219.00 | NIST | |
| Inp | 1225.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1241.00 | NIST | |
| 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 | |
| Inp | 1215.00 | NIST | |
| Inp | 1240.00 | NIST | |
| 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 | 1222.00 | 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 | 1213.25 | NIST | |
| Inp | 1225.45 | NIST | |
| Inp | 1209.05 | NIST | |
| Inp | 1216.00 | NIST | |
| I | [1630.00; 1729.00] |
|
|
| I | 1715.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1692.00 | NIST | |
| I | 1686.00 | NIST | |
| I | Outlier 1633.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1656.00 | NIST | |
| I | Outlier 1633.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1674.00 | NIST | |
| I | Outlier 1633.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1680.00 | NIST | |
| I | Outlier 1632.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1658.00 | NIST | |
| I | Outlier 1724.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1687.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1646.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1678.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1676.00 | NIST | |
| I | Outlier 1633.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1698.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1692.00 | NIST | |
| I | Outlier 1630.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1694.00 | NIST | |
| I | Outlier 1720.00 | NIST | |
| I | Outlier 1729.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1694.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1641.00 | NIST | |
| I | 1696.00 | NIST | |
| I | 1688.00 | NIST | |
| I | 1681.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1671.00 | NIST | |
| I | Outlier 1720.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1692.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1697.00 | NIST | |
| I | Outlier 1724.00 | NIST | |
| Tboil | 484.94 | K | Joback Calculated Property |
| 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] |
|
| 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 |
Similar Compounds
Find more compounds similar to 2,6-Octadienal, 3,7-dimethyl-, (Z)-.
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.