- InChI
- InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+
- InChI Key
- HZYHMHHBBBSGHB-ODYTWBPASA-N
- Formula
- C9H14O
- SMILES
- CCC=CCCC=CC=O
- Molecular Weight1
- 138.21
- CAS
- 557-48-2
- Other Names
-
- Nonadien-2(trans)-6-(cis)-al
- 2-(trans)-6-(cis)-Nonadienal
- 2-trans-6-cis-Nonadien-1-al
- trans,cis-2,6-Nonadien-1-al
- Cucumber aldehyde
- trans,cis-2,6-Nonadienal
- trans-2,cis-6-Nonadienal
- Violet leaf aldehyde
- 2,6-(E,Z)-Nonadienal
- (2E,6Z)-Nonadienal
- (E)-2,(Z)-6-Nonadienal
- (E,Z)-2,6-Nonadienal
- (E,Z)-Nona-2,6-dienal
- Nona-2,6(E,Z)-dienal
- Nona-2(E),6(Z)-dienal
- Nona-trans-2,cis-6-dienal
- t2,c6-Nonadienal
- (2E,6Z)-Nona-2,6-dienal
- 2,6-Nonadienal, (2E,6Z)-
- 2,6-Nonadienal
- (E; Z)-2,6-nonadienal
- (2E,6Z)-nona-2,6-dien-1-al
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.3833 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | [1117.00; 1194.00] |
|
|
| Inp | 1156.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | Outlier 1185.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | Outlier 1194.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1132.10 | NIST | |
| Inp | 1153.20 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | Outlier 1185.00 | NIST | |
| Inp | Outlier 1190.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | Outlier 1190.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | Outlier 1193.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | Outlier 1117.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1157.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Inp | Outlier 1117.00 | NIST | |
| Inp | Outlier 1117.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | Outlier 1122.00 | NIST | |
| Inp | Outlier 1123.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | Outlier 1121.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | Outlier 1123.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | Outlier 1122.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | Outlier 1123.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | Outlier 1118.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Ip | [1548.00; 1629.00] |
|
|
| Ip | 1591.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1581.00 | NIST | |
| Ip | 1589.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1595.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1598.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1577.00 | NIST | |
| Ip | 1598.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1577.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1589.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1604.00 | NIST | |
| Ip | 1553.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1563.00 | NIST | |
| Ip | 1556.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1578.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1591.00 | NIST | |
| Ip | 1568.00 | NIST | |
| Ip | 1579.00 | NIST | |
| Ip | 1579.00 | NIST | |
| Ip | 1591.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1594.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | Outlier 1629.00 | NIST | |
| Ip | 1574.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1592.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | Outlier 1548.00 | NIST | |
| Ip | 1575.00 | NIST | |
| Ip | 1588.00 | NIST | |
| Ip | 1588.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1575.00 | NIST | |
| Ip | 1608.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1560.00 | NIST | |
| Ip | 1584.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1577.00 | NIST | |
| Ip | 1584.00 | NIST | |
| Ip | 1588.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1584.00 | NIST | |
| Ip | 1577.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1562.00 | NIST | |
| Ip | 1560.00 | NIST | |
| Ip | 1579.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1575.00 | NIST | |
| Ip | 1579.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1600.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1606.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Ip | 1598.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | 1607.00 | NIST | |
| Ip | Outlier 1621.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1612.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1594.00 | NIST | |
| Ip | 1571.00 | NIST | |
| Ip | 1557.00 | NIST | |
| Ip | 1589.00 | NIST | |
| Ip | 1610.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | 1592.00 | NIST | |
| Ip | 1578.00 | NIST | |
| Ip | 1566.00 | NIST | |
| Ip | 1566.00 | NIST | |
| Ip | 1564.00 | NIST | |
| Ip | 1611.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1601.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1595.00 | NIST | |
| Ip | 1597.00 | NIST | |
| Ip | 1584.00 | NIST | |
| Ip | 1571.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1577.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | Outlier 1551.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1597.00 | NIST | |
| Ip | 1598.00 | NIST | |
| Ip | 1605.00 | NIST | |
| Ip | Outlier 1627.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1553.00 | NIST | |
| Ip | 1553.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1561.00 | NIST | |
| Ip | 1580.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1587.00 | NIST | |
| Ip | 1575.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1597.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Ip | 1558.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1599.00 | NIST | |
| Ip | 1591.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1564.00 | NIST | |
| Ip | 1565.00 | NIST | |
| Ip | 1579.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1591.00 | NIST | |
| Ip | 1596.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1573.00 | NIST | |
| Ip | 1553.00 | NIST | |
| Ip | 1585.00 | NIST | |
| Ip | 1591.00 | NIST | |
| Ip | 1583.00 | NIST | |
| Ip | 1593.00 | NIST | |
| Ip | 1582.00 | NIST | |
| Ip | 1567.00 | NIST | |
| Ip | 1590.00 | NIST | |
| Ip | 1576.00 | NIST | |
| Tboil | 460.57 | K | Relay (1.0) Calculated Property |
| Tc | 665.82 | K | Relay (1.0) Calculated Property |
| Tfus | 205.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.31; 413.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.22570e+01 | |||
| Coefficient B | 8.73320e-01 | |||
| Coefficient C | -6.26400e-04 | |||
| Coefficient D | 1.88600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 397.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 413.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043918; 0.0002247] | Pa×s | [223.03; 454.07] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12702e+01 | |||
| Coefficient B | 1.30299e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 223.03 | |||
| Temperature range, max. | 454.07 | |||
| η | 0.0043918 | Pa×s | 223.03 | Calculated Property |
| η | 0.0024030 | Pa×s | 248.70 | Calculated Property |
| η | 0.0014718 | Pa×s | 274.37 | Calculated Property |
| η | 0.0009804 | Pa×s | 300.04 | Calculated Property |
| η | 0.0006962 | Pa×s | 325.72 | Calculated Property |
| η | 0.0005198 | Pa×s | 351.39 | Calculated Property |
| η | 0.0004038 | Pa×s | 377.06 | Calculated Property |
| η | 0.0003240 | Pa×s | 402.73 | Calculated Property |
| η | 0.0002669 | Pa×s | 428.40 | Calculated Property |
| η | 0.0002247 | Pa×s | 454.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Nonadienal, (E,Z)-.
Sources
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