- InChI
- InChI=1S/C15H26O4/c1-5-10-18-13(16)15(3,4)14(17)19-12-8-6-11(2)7-9-12/h11-12H,5-10H2,1-4H3
- InChI Key
- LTWDJISZAVEHMD-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)OC1CCC(C)
CC1 - Molecular Weight1
- 270.36
- 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 | -941.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 226.230 | ml/mol | McGowan Calculated Property |
| Inp | 1758.00 | NIST | |
| Tboil | 555.06 | K | Relay (1.0) Calculated Property |
| Tfus | 248.43 | 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 | [661.43; 761.96] | J/mol×K | [670.89; 873.59] | 
|
| Cp,gas | 661.43 | J/mol×K | 670.89 | Joback Calculated Property |
| Cp,gas | 681.39 | J/mol×K | 704.67 | Joback Calculated Property |
| Cp,gas | 700.03 | J/mol×K | 738.46 | Joback Calculated Property |
| Cp,gas | 717.39 | J/mol×K | 772.24 | Joback Calculated Property |
| Cp,gas | 733.48 | J/mol×K | 806.03 | Joback Calculated Property |
| Cp,gas | 748.32 | J/mol×K | 839.81 | Joback Calculated Property |
| Cp,gas | 761.96 | J/mol×K | 873.59 | Joback Calculated Property |
| η | [0.0000926; 0.0033917] | Pa×s | [349.03; 670.89] |
|
| η | 0.0033917 | Pa×s | 349.03 | Joback Calculated Property |
| η | 0.0012480 | Pa×s | 402.67 | Joback Calculated Property |
| η | 0.0005809 | Pa×s | 456.32 | Joback Calculated Property |
| η | 0.0003176 | Pa×s | 509.96 | Joback Calculated Property |
| η | 0.0001948 | Pa×s | 563.60 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 617.25 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 670.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl propyl 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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