- InChI
- InChI=1S/C8H16O2/c1-5-6-8(2,3)7(9)10-4/h5-6H2,1-4H3
- InChI Key
- QBIGLPZXHWTZKF-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCC(C)(C)C(=O)OC
- Molecular Weight1
- 144.21
- CAS
- 813-68-3
- Other Names
-
- Valeric acid, 2,2-dimethyl-, methyl ester
- Methyl «alpha»,«alpha»-dimethylvalerate
- Methyl 2,2-dimethylvalerate
- 2,2-Dimethylvaleric acid, methyl ester
- 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 | -516.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Tboil | 407.72 | K | Relay (1.0) Calculated Property |
| Tfus | 201.60 | 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 | [276.62; 349.99] | J/mol×K | [437.63; 620.24] | 
|
| Cp,gas | 276.62 | J/mol×K | 437.63 | Joback Calculated Property |
| Cp,gas | 290.42 | J/mol×K | 468.06 | Joback Calculated Property |
| Cp,gas | 303.56 | J/mol×K | 498.50 | Joback Calculated Property |
| Cp,gas | 316.07 | J/mol×K | 528.93 | Joback Calculated Property |
| Cp,gas | 327.97 | J/mol×K | 559.37 | Joback Calculated Property |
| Cp,gas | 339.27 | J/mol×K | 589.80 | Joback Calculated Property |
| Cp,gas | 349.99 | J/mol×K | 620.24 | Joback Calculated Property |
| η | [0.0002503; 0.0098150] | Pa×s | [224.67; 437.63] |
|
| η | 0.0098150 | Pa×s | 224.67 | Joback Calculated Property |
| η | 0.0035088 | Pa×s | 260.16 | Joback Calculated Property |
| η | 0.0016058 | Pa×s | 295.66 | Joback Calculated Property |
| η | 0.0008689 | Pa×s | 331.15 | Joback Calculated Property |
| η | 0.0005296 | Pa×s | 366.64 | Joback Calculated Property |
| η | 0.0003522 | Pa×s | 402.14 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 437.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2,2-dimethyl-, methyl ester.
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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