- InChI
- InChI=1S/C19H28O4/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17H,4,8,11-14H2,1-3H3
- InChI Key
- JXXRZJVYNRCMMC-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCC(OC(=O)CCC(=O)OCCCc1ccccc1)
C(C)C - Molecular Weight1
- 320.43
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 40.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Inp | [2272.00; 2272.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2272.00 | NIST | |
| Tboil | 633.66 | K | Relay (1.0) Calculated Property |
| Tfus | 273.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [383.33; 898.33] | 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 | -8.34000e-01 | |||
| Coefficient B | 1.63216e+00 | |||
| Coefficient C | -8.58200e-04 | |||
| Coefficient D | 1.25200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 383.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 474.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 556.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 629.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 693.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 749.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 797.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 838.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 871.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 898.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020751; 0.0000704] | Pa×s | [384.97; 682.48] |
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 | -1.39393e+01 | |||
| Coefficient B | 2.98798e+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. | 384.97 | |||
| Temperature range, max. | 682.48 | |||
| η | 0.0020751 | Pa×s | 384.97 | Calculated Property |
| η | 0.0011233 | Pa×s | 418.03 | Calculated Property |
| η | 0.0006653 | Pa×s | 451.08 | Calculated Property |
| η | 0.0004232 | Pa×s | 484.14 | Calculated Property |
| η | 0.0002853 | Pa×s | 517.19 | Calculated Property |
| η | 0.0002016 | Pa×s | 550.25 | Calculated Property |
| η | 0.0001482 | Pa×s | 583.31 | Calculated Property |
| η | 0.0001126 | Pa×s | 616.36 | Calculated Property |
| η | 0.0000880 | Pa×s | 649.42 | Calculated Property |
| η | 0.0000704 | Pa×s | 682.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-methylpent-3-yl 3-phenylpropyl 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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