- InChI
- InChI=1S/C16H22O5/c1-11(2)12(3)20-15(17)8-9-16(18)21-14-7-5-6-13(10-14)19-4/h5-7,10-12H,8-9H2,1-4H3
- InChI Key
- ZJRRGYJXVQOEAR-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
COc1cccc(OC(=O)CCC(=O)OC(C)C(C
)C)c1 - Molecular Weight1
- 294.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -892.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.968 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 609.02 | K | Relay (1.0) Calculated Property |
| Tfus | 315.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.46; 743.47] | J/mol×K | [735.32; 937.90] |
|
| Cp,gas | 666.46 | J/mol×K | 735.32 | Joback Calculated Property |
| Cp,gas | 682.10 | J/mol×K | 769.08 | Joback Calculated Property |
| Cp,gas | 696.62 | J/mol×K | 802.85 | Joback Calculated Property |
| Cp,gas | 710.01 | J/mol×K | 836.61 | Joback Calculated Property |
| Cp,gas | 722.28 | J/mol×K | 870.37 | Joback Calculated Property |
| Cp,gas | 733.44 | J/mol×K | 904.13 | Joback Calculated Property |
| Cp,gas | 743.47 | J/mol×K | 937.90 | Joback Calculated Property |
| η | [0.0000480; 0.0014663] | Pa×s | [385.91; 735.32] |
|
| η | 0.0014663 | Pa×s | 385.91 | Joback Calculated Property |
| η | 0.0005709 | Pa×s | 444.14 | Joback Calculated Property |
| η | 0.0002766 | Pa×s | 502.38 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 560.62 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 618.85 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 677.09 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 735.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-methoxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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