- InChI
- InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5?
- InChI Key
- SATICYYAWWYRAM-OUPQRBNQSA-N
- Formula
- C7H10O
- SMILES
- CC/C=C\C=C/C=O
- Molecular Weight1
- 110.16
- 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.
- 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 | 0.3090 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | 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 | [1001.00; 1013.00] |
|
|
| Inp | 1001.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Tboil | 427.59 | K | Relay (1.0) Calculated Property |
| Tc | 621.98 | K | Relay (1.0) Calculated Property |
| Tfus | 201.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.88; 310.08] | 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 | -2.04390e+01 | |||
| Coefficient B | 6.83320e-01 | |||
| Coefficient C | -5.17600e-04 | |||
| Coefficient D | 1.64800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 271.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 285.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 298.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 310.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039290; 0.0002090] | Pa×s | [200.49; 424.50] |
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 | -1.10991e+01 | |||
| Coefficient B | 1.11467e+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. | 200.49 | |||
| Temperature range, max. | 424.50 | |||
| η | 0.0039290 | Pa×s | 200.49 | Calculated Property |
| η | 0.0021263 | Pa×s | 225.38 | Calculated Property |
| η | 0.0013002 | Pa×s | 250.27 | Calculated Property |
| η | 0.0008691 | Pa×s | 275.16 | Calculated Property |
| η | 0.0006210 | Pa×s | 300.05 | Calculated Property |
| η | 0.0004672 | Pa×s | 324.94 | Calculated Property |
| η | 0.0003660 | Pa×s | 349.83 | Calculated Property |
| η | 0.0002962 | Pa×s | 374.72 | Calculated Property |
| η | 0.0002461 | Pa×s | 399.61 | Calculated Property |
| η | 0.0002090 | Pa×s | 424.50 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z)-2,4-Heptadienal.
Sources
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