- InChI
- InChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3/b8-7+
- InChI Key
- DXYBMKOHVHUXNV-BQYQJAHWSA-N
- Formula
- C10H18
- SMILES
- C=CC(CC)CC=CCC
- Molecular Weight1
- 138.25
- Other Names
-
- 3-ethylocta-1,5-diene
- 1,5-Octadiene, 3-ethyl
- 1,5-Octadiene, 3-ethyl (E or Z)
- 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 | 0.2980 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.555 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | [930.00; 947.00] |
|
|
| Inp | 931.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 947.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 947.00 | NIST | |
| I | [1006.00; 1027.00] |
|
|
| I | 1012.00 | NIST | |
| I | 1018.00 | NIST | |
| I | 1006.00 | NIST | |
| I | 1017.00 | NIST | |
| I | 1013.00 | NIST | |
| I | Outlier 1027.00 | NIST | |
| I | 1013.00 | NIST | |
| I | 1012.00 | NIST | |
| Tboil | 423.58 | K | Relay (1.0) Calculated Property |
| Tc | 592.93 | K | Relay (1.0) Calculated Property |
| Tfus | 177.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | 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 | [193.49; 476.68] | 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 | -2.50570e+01 | |||
| Coefficient B | 9.59740e-01 | |||
| Coefficient C | -6.30100e-04 | |||
| Coefficient D | 1.72100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 243.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 359.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 458.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0087656; 0.0001922] | Pa×s | [180.62; 424.49] |
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 | -1.13859e+01 | |||
| Coefficient B | 1.20094e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 180.62 | |||
| Temperature range, max. | 424.49 | |||
| η | 0.0087656 | Pa×s | 180.62 | Calculated Property |
| η | 0.0036821 | Pa×s | 207.72 | Calculated Property |
| η | 0.0018895 | Pa×s | 234.81 | Calculated Property |
| η | 0.0011131 | Pa×s | 261.91 | Calculated Property |
| η | 0.0007242 | Pa×s | 289.01 | Calculated Property |
| η | 0.0005072 | Pa×s | 316.10 | Calculated Property |
| η | 0.0003757 | Pa×s | 343.20 | Calculated Property |
| η | 0.0002909 | Pa×s | 370.29 | Calculated Property |
| η | 0.0002331 | Pa×s | 397.39 | Calculated Property |
| η | 0.0001922 | Pa×s | 424.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-1,5-octadiene.
Sources
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