- InChI
- InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
- InChI Key
- NDQXKKFRNOPRDW-UHFFFAOYSA-N
- Formula
- C8H18O3
- SMILES
- CCOC(C)(OCC)OCC
- Molecular Weight1
- 162.23
- CAS
- 78-39-7
- Other Names
-
- Orthoacetic acid, triethyl ester
- Ethyl orthoacetate
- Triethyl orthoacetate
- 1,1,1-Triethoxyethane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -687.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 141.190 | ml/mol | McGowan Calculated Property |
| Tboil | [415.20; 421.00] | K |
|
| Tboil | 415.20 | K | NIST |
| Tboil | 418.20 | K | NIST |
| Tboil | 421.00 ± 6.00 | K | NIST |
| Tfus | 198.91 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.58; 383.76] | J/mol×K | [446.47; 620.72] |
|
| Cp,gas | 309.58 | J/mol×K | 446.47 | Joback Calculated Property |
| Cp,gas | 323.05 | J/mol×K | 475.51 | Joback Calculated Property |
| Cp,gas | 336.08 | J/mol×K | 504.55 | Joback Calculated Property |
| Cp,gas | 348.67 | J/mol×K | 533.60 | Joback Calculated Property |
| Cp,gas | 360.82 | J/mol×K | 562.64 | Joback Calculated Property |
| Cp,gas | 372.51 | J/mol×K | 591.68 | Joback Calculated Property |
| Cp,gas | 383.76 | J/mol×K | 620.72 | Joback Calculated Property |
| η | [0.0001674; 0.0032508] | Pa×s | [249.03; 446.47] |
|
| η | 0.0032508 | Pa×s | 249.03 | Joback Calculated Property |
| η | 0.0014858 | Pa×s | 281.94 | Joback Calculated Property |
| η | 0.0007999 | Pa×s | 314.84 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 347.75 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 380.66 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 413.56 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 446.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1,1,1-triethoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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