- InChI
- InChI=1S/C13H26O2/c1-11(2)7-6-8-12(3)9-10-15-13(4)14-5/h7,12-13H,6,8-10H2,1-5H3
- InChI Key
- YSABATHBMSLQLP-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- COC(C)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 214.34
- 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° | -84.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.768 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [1374.00; 1374.00] |
|
|
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| I | [1596.00; 1596.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1596.00 | NIST | |
| Tboil | 544.84 | K | Joback Calculated Property |
| Tc | 720.13 | K | Joback Calculated Property |
| Tfus | 231.69 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.09; 592.22] | J/mol×K | [544.84; 720.13] |
|
| Cp,gas | 497.09 | J/mol×K | 544.84 | Joback Calculated Property |
| Cp,gas | 514.67 | J/mol×K | 574.06 | Joback Calculated Property |
| Cp,gas | 531.54 | J/mol×K | 603.27 | Joback Calculated Property |
| Cp,gas | 547.72 | J/mol×K | 632.49 | Joback Calculated Property |
| Cp,gas | 563.21 | J/mol×K | 661.70 | Joback Calculated Property |
| Cp,gas | 578.05 | J/mol×K | 690.92 | Joback Calculated Property |
| Cp,gas | 592.22 | J/mol×K | 720.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanal, citronellyl methyl acetal.
Sources
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