- InChI
- InChI=1S/C22H26O4/c1-3-9-17-11-5-7-13-19(17)25-21(23)15-16-22(24)26-20-14-8-6-12-18(20)10-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
- InChI Key
- CHSBEMGGCUWYNM-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCc1ccccc1OC(=O)CCC(=O)Oc1ccc
cc1CCC - Molecular Weight1
- 354.44
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9527 | Relay (1.0) Calculated Property | |
| ΔfusH° | 48.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.883 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | [2583.00; 2583.00] |
|
|
| Inp | 2583.00 | NIST | |
| Inp | 2583.00 | NIST | |
| Tboil | 661.65 | K | Relay (1.0) Calculated Property |
| Tc | 905.11 | K | Relay (1.0) Calculated Property |
| Tfus | 338.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.065 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, 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 | [395.45; 927.42] | 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 | -5.50400e+00 | |||
| Coefficient B | 1.70744e+00 | |||
| Coefficient C | -9.12120e-04 | |||
| Coefficient D | 1.37600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 395.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 490.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 575.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 651.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 717.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 775.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 824.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 865.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 900.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 927.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004930; 0.0000551] | Pa×s | [500.24; 770.51] |
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 | -1.38634e+01 | |||
| Coefficient B | 3.12572e+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. | 500.24 | |||
| Temperature range, max. | 770.51 | |||
| η | 0.0004930 | Pa×s | 500.24 | Calculated Property |
| η | 0.0003461 | Pa×s | 530.27 | Calculated Property |
| η | 0.0002523 | Pa×s | 560.30 | Calculated Property |
| η | 0.0001900 | Pa×s | 590.33 | Calculated Property |
| η | 0.0001470 | Pa×s | 620.36 | Calculated Property |
| η | 0.0001165 | Pa×s | 650.39 | Calculated Property |
| η | 0.0000942 | Pa×s | 680.42 | Calculated Property |
| η | 0.0000776 | Pa×s | 710.45 | Calculated Property |
| η | 0.0000649 | Pa×s | 740.48 | Calculated Property |
| η | 0.0000551 | Pa×s | 770.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(2-propylphenyl) ester.
Sources
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