- InChI
- InChI=1S/C22H26O4/c1-16(2)17(3)25-20(23)14-15-21(24)26-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,22H,14-15H2,1-3H3
- InChI Key
- NKWSYGOWFQPFDT-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CC(C)C(C)OC(=O)CCC(=O)OC(c1ccc
cc1)c1ccccc1 - Molecular Weight1
- 354.44
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -637.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.687 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Inp | [2518.00; 2518.00] |
|
|
| Inp | 2518.00 | NIST | |
| Inp | 2518.00 | NIST | |
| Tboil | 633.25 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.40; 935.11] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.91480e+01 | |||
| Coefficient B | 1.84416e+00 | |||
| Coefficient C | -1.05580e-03 | |||
| Coefficient D | 1.85900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 389.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 489.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 656.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 724.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 783.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 832.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 874.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 908.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 935.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012487; 0.0000412] | Pa×s | [430.20; 766.95] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44534e+01 | |||
| Coefficient B | 3.34170e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 430.20 | |||
| Temperature range, max. | 766.95 | |||
| η | 0.0012487 | Pa×s | 430.20 | Calculated Property |
| η | 0.0006707 | Pa×s | 467.62 | Calculated Property |
| η | 0.0003950 | Pa×s | 505.03 | Calculated Property |
| η | 0.0002503 | Pa×s | 542.45 | Calculated Property |
| η | 0.0001682 | Pa×s | 579.86 | Calculated Property |
| η | 0.0001186 | Pa×s | 617.28 | Calculated Property |
| η | 0.0000870 | Pa×s | 654.70 | Calculated Property |
| η | 0.0000660 | Pa×s | 692.11 | Calculated Property |
| η | 0.0000516 | Pa×s | 729.53 | Calculated Property |
| η | 0.0000412 | Pa×s | 766.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl diphenylmethyl 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
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