- InChI
- InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3/i1D3,3D3,4D2,6D
- InChI Key
- HCRBXQFHJMCTLF-ZMECLBIQSA-N
- Formula
- C7H14O2
- SMILES
-
[2H]C([2H])([2H])C([2H])([2H])
C([2H])(C(=O)OCC)C([2H])([2H]) [2H] - Molecular Weight1
- 139.24
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3955 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1076.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.17 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| I | 1048.00 | NIST | |
| Tboil | 342.74 | K | Relay (1.0) Calculated Property |
| Tc | 925.16 | K | Relay (1.0) Calculated Property |
| Tfus | 254.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, 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 | [233.86; 297.91] | J/mol×K | [417.54; 594.25] | 
|
| Cp,gas | 233.86 | J/mol×K | 417.54 | Joback Calculated Property |
| Cp,gas | 245.60 | J/mol×K | 446.99 | Joback Calculated Property |
| Cp,gas | 256.91 | J/mol×K | 476.44 | Joback Calculated Property |
| Cp,gas | 267.79 | J/mol×K | 505.90 | Joback Calculated Property |
| Cp,gas | 278.25 | J/mol×K | 535.35 | Joback Calculated Property |
| Cp,gas | 288.29 | J/mol×K | 564.80 | Joback Calculated Property |
| Cp,gas | 297.91 | J/mol×K | 594.25 | Joback Calculated Property |
| η | [0.0002603; 0.0114359] | Pa×s | [195.98; 417.54] |
|
| η | 0.0114359 | Pa×s | 195.98 | Joback Calculated Property |
| η | 0.0036933 | Pa×s | 232.91 | Joback Calculated Property |
| η | 0.0016252 | Pa×s | 269.83 | Joback Calculated Property |
| η | 0.0008714 | Pa×s | 306.76 | Joback Calculated Property |
| η | 0.0005342 | Pa×s | 343.69 | Joback Calculated Property |
| η | 0.0003601 | Pa×s | 380.61 | Joback Calculated Property |
| η | 0.0002603 | Pa×s | 417.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl 2-methylbutanoate-d-9.
Sources
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