- InChI
- InChI=1S/C16H22O5/c1-12(2)10-20-15(17)7-8-16(18)21-11-13-5-4-6-14(9-13)19-3/h4-6,9,12H,7-8,10-11H2,1-3H3
- InChI Key
- DXEKQEAEVTZGDK-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
COc1cccc(COC(=O)CCC(=O)OCC(C)C
)c1 - 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° | -388.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.718 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [2134.00; 2134.00] |
|
|
| Inp | 2134.00 | NIST | |
| Inp | 2134.00 | NIST | |
| Tboil | 771.70 | K | Joback Calculated Property |
| Tc | 975.50 | K | Joback Calculated Property |
| Tfus | 460.57 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.85; 750.92] | J/mol×K | [771.70; 975.50] |
|
| Cp,gas | 676.85 | J/mol×K | 771.70 | Joback Calculated Property |
| Cp,gas | 691.80 | J/mol×K | 805.67 | Joback Calculated Property |
| Cp,gas | 705.71 | J/mol×K | 839.63 | Joback Calculated Property |
| Cp,gas | 718.58 | J/mol×K | 873.60 | Joback Calculated Property |
| Cp,gas | 730.40 | J/mol×K | 907.57 | Joback Calculated Property |
| Cp,gas | 741.18 | J/mol×K | 941.54 | Joback Calculated Property |
| Cp,gas | 750.92 | J/mol×K | 975.50 | Joback Calculated Property |
| η | [0.0000656; 0.0006944] | Pa×s | [460.57; 771.70] |
|
| η | 0.0006944 | Pa×s | 460.57 | Joback Calculated Property |
| η | 0.0003841 | Pa×s | 512.42 | Joback Calculated Property |
| η | 0.0002368 | Pa×s | 564.28 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 616.13 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 667.99 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 719.85 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 771.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 3-methoxybenzyl ester.
Sources
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