- InChI
- InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
- InChI Key
- SATICYYAWWYRAM-VNKDHWASSA-N
- Formula
- C7H10O
- SMILES
- CCC=CC=CC=O
- Molecular Weight1
- 110.15
- CAS
- 4313-03-5
- Other Names
-
- trans-2-trans-4-Heptadienal
- trans,trans-2,4-Heptadienal
- 2,4-Heptadien-1-al
- (E,E)-2,4-Heptadienal
- (E,E)-2,4-Heptadien-1-al
- 2,4-(E,E)-Heptadienal
- (E)-2,(E)-4- Heptadienal
- (E,E)-Hepta-2,4-dienal
- Hepta-2(E),4(E)-dienal
- trans,trans-Hepta-2,4-dienal
- (2E,4E)-2,4-heptadienal
- (E; E)-2,4-heptadienal
- (2E,4E)-hepta-2,4-dienal
- 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.
- 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 |
|---|---|---|---|
| ω | 0.3181 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.708 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Inp | [966.60; 1030.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | Outlier 971.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | Outlier 966.60 | NIST | |
| Inp | 1012.30 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 978.20 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | Outlier 974.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | Outlier 973.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 998.00 | NIST | |
| I | [1447.00; 1532.00] |
|
|
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | Outlier 1455.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1463.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1512.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1463.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1504.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1474.00 | NIST | |
| I | Outlier 1454.00 | NIST | |
| I | Outlier 1451.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1490.00 | NIST | |
| I | Outlier 1447.00 | NIST | |
| I | 1498.00 | NIST | |
| I | 1498.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1499.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1504.00 | NIST | |
| I | 1481.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1494.00 | NIST | |
| I | Outlier 1453.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1515.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1524.00 | NIST | |
| I | 1526.00 | NIST | |
| I | Outlier 1530.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1491.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1505.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1483.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1482.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1479.00 | NIST | |
| I | 1482.00 | NIST | |
| I | Outlier 1454.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1503.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1456.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1497.00 | NIST | |
| I | Outlier 1532.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1498.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1496.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1498.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1497.00 | NIST | |
| I | 1458.00 | NIST | |
| I | 1501.00 | NIST | |
| I | 1498.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1507.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1486.00 | NIST | |
| I | 1463.00 | NIST | |
| I | 1490.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1476.00 | NIST | |
| I | 1481.00 | NIST | |
| I | Outlier 1453.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1487.00 | NIST | |
| I | Outlier 1454.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1480.00 | NIST | |
| Tboil | 357.70 | K | NIST |
| Tc | 621.42 | K | Relay (1.0) Calculated Property |
| Tfus | 269.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.30; 240.28] | J/mol×K | [416.54; 606.14] |
|
| Cp,gas | 186.30 | J/mol×K | 416.54 | Joback Calculated Property |
| Cp,gas | 196.67 | J/mol×K | 448.14 | Joback Calculated Property |
| Cp,gas | 206.45 | J/mol×K | 479.74 | Joback Calculated Property |
| Cp,gas | 215.67 | J/mol×K | 511.34 | Joback Calculated Property |
| Cp,gas | 224.36 | J/mol×K | 542.94 | Joback Calculated Property |
| Cp,gas | 232.55 | J/mol×K | 574.54 | Joback Calculated Property |
| Cp,gas | 240.28 | J/mol×K | 606.14 | Joback Calculated Property |
| η | [0.0002197; 0.0039290] | Pa×s | [200.49; 416.54] |
|
| η | 0.0039290 | Pa×s | 200.49 | Joback Calculated Property |
| η | 0.0016852 | Pa×s | 236.50 | Joback Calculated Property |
| η | 0.0009040 | Pa×s | 272.51 | Joback Calculated Property |
| η | 0.0005608 | Pa×s | 308.51 | Joback Calculated Property |
| η | 0.0003844 | Pa×s | 344.52 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 380.53 | Joback Calculated Property |
| η | 0.0002197 | Pa×s | 416.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadienal, (E,E)-.
Sources
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