- InChI
- InChI=1S/C8H16O/c1-5-8(7(3)4)9-6-2/h5,7H,6H2,1-4H3/b8-5-
- InChI Key
- BZKMMDHDUYTXJM-YVMONPNESA-N
- Formula
- C8H16O
- SMILES
- CC=C(OCC)C(C)C
- Molecular Weight1
- 128.21
- CAS
- 1528-14-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.3565 | Relay (1.0) Calculated Property | |
| ΔfusH° | 13.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.75 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.583 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Tboil | 395.51 | K | Relay (1.0) Calculated Property |
| Tc | 577.41 | K | Relay (1.0) Calculated Property |
| Tfus | 202.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.43; 420.24] | 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 | 5.56100e+00 | |||
| Coefficient B | 7.26480e-01 | |||
| Coefficient C | -3.89700e-04 | |||
| Coefficient D | 7.79000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 316.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 404.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 420.24 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Ethoxy-4-methyl-2-pentene.
Sources
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