- InChI
- InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3/i1D3,2D3,4D2,5D2
- InChI Key
- RGFNRWTWDWVHDD-IZUSZFKNSA-N
- Formula
- C8H16O2
- SMILES
-
[2H]C([2H])([2H])C(C)COC(=O)C(
[2H])([2H])C([2H])([2H])C([2H] )([2H])[2H] - Molecular Weight1
- 154.28
- 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).
- Pc : Critical Pressure (kPa).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1202.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| I | 1160.00 | NIST | |
| Tboil | 366.88 | K | Relay (1.0) Calculated Property |
| Tc | 1005.38 | K | Relay (1.0) Calculated Property |
| Tfus | 269.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [274.41; 344.48] | J/mol×K | [440.42; 615.93] | 
|
| Cp,gas | 274.41 | J/mol×K | 440.42 | Joback Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 469.67 | Joback Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 498.92 | Joback Calculated Property |
| Cp,gas | 311.59 | J/mol×K | 528.18 | Joback Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 333.99 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 344.48 | J/mol×K | 615.93 | Joback Calculated Property |
| η | [0.0002460; 0.0111001] | Pa×s | [207.25; 440.42] |
|
| η | 0.0111001 | Pa×s | 207.25 | Joback Calculated Property |
| η | 0.0035636 | Pa×s | 246.11 | Joback Calculated Property |
| η | 0.0015597 | Pa×s | 284.97 | Joback Calculated Property |
| η | 0.0008323 | Pa×s | 323.83 | Joback Calculated Property |
| η | 0.0005082 | Pa×s | 362.70 | Joback Calculated Property |
| η | 0.0003414 | Pa×s | 401.56 | Joback Calculated Property |
| η | 0.0002460 | Pa×s | 440.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methylpropyl-d3 butanoate-d3.
Sources
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