- InChI
- InChI=1S/C8H14O/c1-4-6-7-8(3)9-5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7-
- InChI Key
- SYZPTNQVXBBYES-AQXDOAQYSA-N
- Formula
- C8H14O
- SMILES
- CC=CC=C(C)OCC
- Molecular Weight1
- 126.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | 63.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.503 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | 936.00 | NIST | |
| Tboil | 413.06 | K | Joback Calculated Property |
| Tc | 597.41 | K | Joback Calculated Property |
| Tfus | 178.03 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.58; 294.45] | J/mol×K | [413.06; 597.41] | 
|
| Cp,gas | 227.58 | J/mol×K | 413.06 | Joback Calculated Property |
| Cp,gas | 240.08 | J/mol×K | 443.78 | Joback Calculated Property |
| Cp,gas | 252.01 | J/mol×K | 474.51 | Joback Calculated Property |
| Cp,gas | 263.39 | J/mol×K | 505.23 | Joback Calculated Property |
| Cp,gas | 274.24 | J/mol×K | 535.96 | Joback Calculated Property |
| Cp,gas | 284.59 | J/mol×K | 566.68 | Joback Calculated Property |
| Cp,gas | 294.45 | J/mol×K | 597.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadiene, 2-ethoxy.
Sources
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