- InChI
- InChI=1S/C17H22O5/c1-11(2)13(4)21-16(19)9-10-17(20)22-15-7-5-14(6-8-15)12(3)18/h5-8,11,13H,9-10H2,1-4H3
- InChI Key
- SAYBTAKJMVDACF-UHFFFAOYSA-N
- Formula
- C17H22O5
- SMILES
-
CC(=O)c1ccc(OC(=O)CCC(=O)OC(C)
C(C)C)cc1 - Molecular Weight1
- 306.35
- 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° | -406.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.163 | Crippen Calculated Property | |
| McVol | 243.080 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2334.00; 2334.00] |
|
|
| Inp | 2334.00 | NIST | |
| Inp | 2334.00 | NIST | |
| Tboil | 825.59 | K | Joback Calculated Property |
| Tc | 1038.03 | K | Joback Calculated Property |
| Tfus | 484.54 | K | Joback Calculated Property |
| Vc | 0.921 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.72; 789.09] | J/mol×K | [825.59; 1038.03] |
|
| Cp,gas | 721.72 | J/mol×K | 825.59 | Joback Calculated Property |
| Cp,gas | 735.75 | J/mol×K | 861.00 | Joback Calculated Property |
| Cp,gas | 748.64 | J/mol×K | 896.40 | Joback Calculated Property |
| Cp,gas | 760.40 | J/mol×K | 931.81 | Joback Calculated Property |
| Cp,gas | 771.05 | J/mol×K | 967.22 | Joback Calculated Property |
| Cp,gas | 780.61 | J/mol×K | 1002.62 | Joback Calculated Property |
| Cp,gas | 789.09 | J/mol×K | 1038.03 | Joback Calculated Property |
| η | [0.0000672; 0.0008322] | Pa×s | [484.54; 825.59] |
|
| η | 0.0008322 | Pa×s | 484.54 | Joback Calculated Property |
| η | 0.0004390 | Pa×s | 541.38 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 598.22 | Joback Calculated Property |
| η | 0.0001704 | Pa×s | 655.06 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 711.91 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 768.75 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 825.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-acetylphenyl ester.
Sources
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