- InChI
- InChI=1S/C14H28O2/c1-6-15-14(5)16-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3
- InChI Key
- SPEUXEXTPNHKBM-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCOC(C)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 228.37
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -76.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| I | 1626.00 | NIST | |
| Tboil | 567.72 | K | Joback Calculated Property |
| Tc | 741.63 | K | Joback Calculated Property |
| Tfus | 242.96 | K | Joback Calculated Property |
| Vc | 0.825 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.58; 646.72] | J/mol×K | [567.72; 741.63] |
|
| Cp,gas | 548.58 | J/mol×K | 567.72 | Joback Calculated Property |
| Cp,gas | 566.74 | J/mol×K | 596.70 | Joback Calculated Property |
| Cp,gas | 584.16 | J/mol×K | 625.69 | Joback Calculated Property |
| Cp,gas | 600.86 | J/mol×K | 654.67 | Joback Calculated Property |
| Cp,gas | 616.84 | J/mol×K | 683.66 | Joback Calculated Property |
| Cp,gas | 632.12 | J/mol×K | 712.64 | Joback Calculated Property |
| Cp,gas | 646.72 | J/mol×K | 741.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanal, ethyl citronellyl acetal.
Sources
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