- InChI
- InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3/i1D3,3D2,5D2
- InChI Key
- OBNCKNCVKJNDBV-HJHJEWFGSA-N
- Formula
- C6H5D7O2
- SMILES
- CCCC(=O)OCC
- Molecular Weight1
- 123.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -234.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.20 | Crippen Calculated Property | |
| logPoct/wat | 1.350 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| I | [1036.00; 1036.00] |
|
|
| I | 1036.00 | NIST | |
| I | 1036.00 | NIST | |
| Tboil | 412.97 | K | Joback Calculated Property |
| Tc | 590.55 | K | Joback Calculated Property |
| Tfus | 229.54 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.87; 254.27] | J/mol×K | [412.97; 590.55] |
|
| Cp,gas | 199.87 | J/mol×K | 412.97 | Joback Calculated Property |
| Cp,gas | 209.71 | J/mol×K | 442.57 | Joback Calculated Property |
| Cp,gas | 219.25 | J/mol×K | 472.16 | Joback Calculated Property |
| Cp,gas | 228.47 | J/mol×K | 501.76 | Joback Calculated Property |
| Cp,gas | 237.38 | J/mol×K | 531.36 | Joback Calculated Property |
| Cp,gas | 245.98 | J/mol×K | 560.96 | Joback Calculated Property |
| Cp,gas | 254.27 | J/mol×K | 590.55 | Joback Calculated Property |
| η | [0.0002729; 0.0030279] | Pa×s | [229.54; 412.97] |
|
| η | 0.0030279 | Pa×s | 229.54 | Joback Calculated Property |
| η | 0.0016017 | Pa×s | 260.11 | Joback Calculated Property |
| η | 0.0009687 | Pa×s | 290.68 | Joback Calculated Property |
| η | 0.0006447 | Pa×s | 321.25 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 351.83 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 382.40 | Joback Calculated Property |
| η | 0.0002729 | Pa×s | 412.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl butanoate-d3.
Sources
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