- InChI
- InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3/i1D3,2D3,4D2,5D
- InChI Key
- OCWLYWIFNDCWRZ-OMLAQRBSSA-N
- Formula
- C6H3D9O2
- SMILES
- CCC(C)C(=O)OC
- Molecular Weight1
- 125.21
- 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° | -236.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.72 | kJ/mol | Joback Calculated Property |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| I | 1003.00 | NIST | |
| Tboil | 412.53 | K | Joback Calculated Property |
| Tc | 594.22 | K | Joback Calculated Property |
| Tfus | 214.54 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.90; 255.87] | J/mol×K | [412.53; 594.22] | 
|
| Cp,gas | 199.90 | J/mol×K | 412.53 | Joback Calculated Property |
| Cp,gas | 210.06 | J/mol×K | 442.81 | Joback Calculated Property |
| Cp,gas | 219.89 | J/mol×K | 473.09 | Joback Calculated Property |
| Cp,gas | 229.39 | J/mol×K | 503.38 | Joback Calculated Property |
| Cp,gas | 238.55 | J/mol×K | 533.66 | Joback Calculated Property |
| Cp,gas | 247.38 | J/mol×K | 563.94 | Joback Calculated Property |
| Cp,gas | 255.87 | J/mol×K | 594.22 | Joback Calculated Property |
| η | [0.0002624; 0.0046134] | Pa×s | [214.54; 412.53] |
|
| η | 0.0046134 | Pa×s | 214.54 | Joback Calculated Property |
| η | 0.0020807 | Pa×s | 247.54 | Joback Calculated Property |
| η | 0.0011317 | Pa×s | 280.54 | Joback Calculated Property |
| η | 0.0006998 | Pa×s | 313.53 | Joback Calculated Property |
| η | 0.0004742 | Pa×s | 346.53 | Joback Calculated Property |
| η | 0.0003438 | Pa×s | 379.53 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 412.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 2-methylbutanoate-d-9.
Sources
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