- InChI
- InChI=1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3
- InChI Key
- ZJPKYCLAROITRY-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(C)OCC
- Molecular Weight1
- 226.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 | 0.4588 | Relay (... Calculated Property | |
| ΔfG° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -2.88 | Relay (... Calculated Property | |
| logPoct/wat | 4.077 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [1361.00; 1361.00] |
|
|
| Inp | 1361.00 | NIST | |
| Inp | 1361.00 | NIST | |
| I | [1558.00; 1558.00] |
|
|
| I | 1558.00 | NIST | |
| I | 1558.00 | NIST | |
| Tboil | 497.23 | K | Relay (... Calculated Property |
| Tc | 650.97 | K | Relay (... Calculated Property |
| Tfus | 203.76 | K | Relay (... Calculated Property |
| Vc | 0.752 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.49; 627.61] | J/mol×K | [561.61; 744.44] |
|
| Cp,gas | 530.49 | J/mol×K | 561.61 | Joback Calculated Property |
| Cp,gas | 548.77 | J/mol×K | 592.08 | Joback Calculated Property |
| Cp,gas | 566.17 | J/mol×K | 622.55 | Joback Calculated Property |
| Cp,gas | 582.72 | J/mol×K | 653.02 | Joback Calculated Property |
| Cp,gas | 598.46 | J/mol×K | 683.50 | Joback Calculated Property |
| Cp,gas | 613.41 | J/mol×K | 713.97 | Joback Calculated Property |
| Cp,gas | 627.61 | J/mol×K | 744.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanal, ethyl linalyl acetal, # 1.
Sources
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