- InChI
- InChI=1S/C17H30O4/c1-5-6-7-12-20-15(18)17(3,4)16(19)21-14-10-8-13(2)9-11-14/h13-14H,5-12H2,1-4H3
- InChI Key
- JZHWLWJOWPBOKY-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OC1CCC(
C)CC1 - Molecular Weight1
- 298.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -356.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 254.410 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | [1894.00; 1894.00] |
|
|
| Inp | 1894.00 | NIST | |
| Inp | 1894.00 | NIST | |
| Tboil | 752.59 | K | Joback Calculated Property |
| Tc | 955.09 | K | Joback Calculated Property |
| Tfus | 431.23 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.27; 888.80] | J/mol×K | [752.59; 955.09] |
|
| Cp,gas | 791.27 | J/mol×K | 752.59 | Joback Calculated Property |
| Cp,gas | 810.64 | J/mol×K | 786.34 | Joback Calculated Property |
| Cp,gas | 828.74 | J/mol×K | 820.09 | Joback Calculated Property |
| Cp,gas | 845.57 | J/mol×K | 853.84 | Joback Calculated Property |
| Cp,gas | 861.17 | J/mol×K | 887.59 | Joback Calculated Property |
| Cp,gas | 875.57 | J/mol×K | 921.34 | Joback Calculated Property |
| Cp,gas | 888.80 | J/mol×K | 955.09 | Joback Calculated Property |
| η | [0.0000864; 0.0013348] | Pa×s | [431.23; 752.59] |
|
| η | 0.0013348 | Pa×s | 431.23 | Joback Calculated Property |
| η | 0.0006573 | Pa×s | 484.79 | Joback Calculated Property |
| η | 0.0003727 | Pa×s | 538.35 | Joback Calculated Property |
| η | 0.0002342 | Pa×s | 591.91 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 645.47 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 699.03 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 752.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentyl trans-4-methylcyclohexyl ester.
Sources
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