- InChI
- InChI=1S/C17H32O4/c1-6-9-12-14(11-8-3)21-16(19)17(4,5)15(18)20-13-10-7-2/h14H,6-13H2,1-5H3
- InChI Key
- FYCYNVANIGJNHA-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)OC(CCC)C
CCC - Molecular Weight1
- 300.43
- 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).
- Inp : Non-polar retention indices.
- 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 | -1021.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.03 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.258 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Inp | [1712.00; 1712.00] |
|
|
| Inp | 1712.00 | NIST | |
| Inp | 1712.00 | NIST | |
| Tboil | 547.66 | K | Relay (1.0) Calculated Property |
| Tfus | 215.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [793.34; 884.02] | J/mol×K | [737.27; 921.13] |
|
| Cp,gas | 793.34 | J/mol×K | 737.27 | Joback Calculated Property |
| Cp,gas | 810.75 | J/mol×K | 767.91 | Joback Calculated Property |
| Cp,gas | 827.21 | J/mol×K | 798.56 | Joback Calculated Property |
| Cp,gas | 842.74 | J/mol×K | 829.20 | Joback Calculated Property |
| Cp,gas | 857.37 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 871.12 | J/mol×K | 890.49 | Joback Calculated Property |
| Cp,gas | 884.02 | J/mol×K | 921.13 | Joback Calculated Property |
| η | [0.0000617; 0.0013901] | Pa×s | [413.09; 737.27] |
|
| η | 0.0013901 | Pa×s | 413.09 | Joback Calculated Property |
| η | 0.0006127 | Pa×s | 467.12 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 521.15 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 575.18 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 629.21 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 683.24 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 737.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 4-octyl 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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