- InChI
- InChI=1S/C21H26O4/c1-4-5-8-13-24-19(22)21(2,3)20(23)25-15-16-11-12-17-9-6-7-10-18(17)14-16/h6-7,9-12,14H,4-5,8,13,15H2,1-3H3
- InChI Key
- CCAJMQZZWYCLHR-UHFFFAOYSA-N
- Formula
- C21H26O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OCc1ccc
2ccccc2c1 - Molecular Weight1
- 342.43
- 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° | -129.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.93 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 4.643 | Crippen Calculated Property | |
| McVol | 278.410 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [2551.00; 2551.00] |
|
|
| Inp | 2551.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Tboil | 879.87 | K | Joback Calculated Property |
| Tc | 1099.65 | K | Joback Calculated Property |
| Tfus | 544.81 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.88; 936.71] | J/mol×K | [879.87; 1099.65] |
|
| Cp,gas | 861.88 | J/mol×K | 879.87 | Joback Calculated Property |
| Cp,gas | 876.81 | J/mol×K | 916.50 | Joback Calculated Property |
| Cp,gas | 890.65 | J/mol×K | 953.13 | Joback Calculated Property |
| Cp,gas | 903.48 | J/mol×K | 989.76 | Joback Calculated Property |
| Cp,gas | 915.38 | J/mol×K | 1026.39 | Joback Calculated Property |
| Cp,gas | 926.43 | J/mol×K | 1063.02 | Joback Calculated Property |
| Cp,gas | 936.71 | J/mol×K | 1099.65 | Joback Calculated Property |
| η | [0.0000742; 0.0005831] | Pa×s | [544.81; 879.87] |
|
| η | 0.0005831 | Pa×s | 544.81 | Joback Calculated Property |
| η | 0.0003525 | Pa×s | 600.65 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 656.50 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 712.34 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 768.18 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 824.03 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 879.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-naphthylmethyl pentyl ester.
Sources
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