- InChI
- InChI=1S/C19H26O5/c1-13(2)7-6-12-23-17(21)19(4,5)18(22)24-16-10-8-15(9-11-16)14(3)20/h8-11,13H,6-7,12H2,1-5H3
- InChI Key
- FKBOFNHBRWSGEG-UHFFFAOYSA-N
- Formula
- C19H26O5
- SMILES
-
CC(=O)c1ccc(OC(=O)C(C)(C)C(=O)
OCCCC(C)C)cc1 - Molecular Weight1
- 334.41
- 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° | -384.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.800 | Crippen Calculated Property | |
| McVol | 271.260 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [2286.00; 2286.00] |
|
|
| Inp | 2286.00 | NIST | |
| Inp | 2286.00 | NIST | |
| Tboil | 868.56 | K | Joback Calculated Property |
| Tc | 1083.50 | K | Joback Calculated Property |
| Tfus | 524.50 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.94; 906.31] | J/mol×K | [868.56; 1083.50] |
|
| Cp,gas | 836.94 | J/mol×K | 868.56 | Joback Calculated Property |
| Cp,gas | 851.33 | J/mol×K | 904.38 | Joback Calculated Property |
| Cp,gas | 864.54 | J/mol×K | 940.21 | Joback Calculated Property |
| Cp,gas | 876.60 | J/mol×K | 976.03 | Joback Calculated Property |
| Cp,gas | 887.56 | J/mol×K | 1011.85 | Joback Calculated Property |
| Cp,gas | 897.45 | J/mol×K | 1047.67 | Joback Calculated Property |
| Cp,gas | 906.31 | J/mol×K | 1083.50 | Joback Calculated Property |
| η | [0.0000434; 0.0005419] | Pa×s | [524.50; 868.56] |
|
| η | 0.0005419 | Pa×s | 524.50 | Joback Calculated Property |
| η | 0.0002892 | Pa×s | 581.84 | Joback Calculated Property |
| η | 0.0001727 | Pa×s | 639.19 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 696.53 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 753.87 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 811.22 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 868.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl isohexyl ester.
Sources
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