- InChI
- InChI=1S/C16H22O5/c1-6-19-14(17)16(4,5)15(18)21-13-10-8-7-9-12(13)20-11(2)3/h7-11H,6H2,1-5H3
- InChI Key
- QKPGUWLSJSQVEX-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
CCOC(=O)C(C)(C)C(=O)Oc1ccccc1O
C(C)C - Molecular Weight1
- 294.34
- 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° | -385.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.968 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | 1817.00 | NIST | |
| Tboil | 768.47 | K | Joback Calculated Property |
| Tc | 980.68 | K | Joback Calculated Property |
| Tfus | 462.99 | K | Joback Calculated Property |
| Vc | 0.873 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.78; 753.83] | J/mol×K | [768.47; 980.68] | 
|
| Cp,gas | 678.78 | J/mol×K | 768.47 | Joback Calculated Property |
| Cp,gas | 694.04 | J/mol×K | 803.84 | Joback Calculated Property |
| Cp,gas | 708.17 | J/mol×K | 839.21 | Joback Calculated Property |
| Cp,gas | 721.20 | J/mol×K | 874.57 | Joback Calculated Property |
| Cp,gas | 733.14 | J/mol×K | 909.94 | Joback Calculated Property |
| Cp,gas | 744.02 | J/mol×K | 945.31 | Joback Calculated Property |
| Cp,gas | 753.83 | J/mol×K | 980.68 | Joback Calculated Property |
| η | [0.0000534; 0.0006638] | Pa×s | [462.99; 768.47] |
|
| η | 0.0006638 | Pa×s | 462.99 | Joback Calculated Property |
| η | 0.0003542 | Pa×s | 513.90 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 564.82 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 615.73 | Joback Calculated Property |
| η | 0.0000956 | Pa×s | 666.64 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 717.56 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 768.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl 2-isopropoxyphenyl ester.
Sources
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