- InChI
- InChI=1S/C24H30O4/c1-3-4-7-12-19(2)27-22(25)17-18-23(26)28-24(20-13-8-5-9-14-20)21-15-10-6-11-16-21/h5-6,8-11,13-16,19,24H,3-4,7,12,17-18H2,1-2H3
- InChI Key
- XBOPTAZEVBVRIT-UHFFFAOYSA-N
- Formula
- C24H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(c1ccc
cc1)c1ccccc1 - Molecular Weight1
- 382.49
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -681.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.611 | Crippen Calculated Property | |
| McVol | 316.380 | ml/mol | McGowan Calculated Property |
| Inp | [2722.00; 2722.00] |
|
|
| Inp | 2722.00 | NIST | |
| Inp | 2722.00 | NIST | |
| Tboil | 648.31 | K | Relay (1.0) Calculated Property |
| Tfus | 307.42 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [432.14; 1037.76] | 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 | -3.92840e+01 | |||
| Coefficient B | 2.02824e+00 | |||
| Coefficient C | -1.16140e-03 | |||
| Coefficient D | 2.10200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 432.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 640.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 801.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 866.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 922.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 968.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1007.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1037.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007654; 0.0000351] | Pa×s | [467.74; 796.42] |
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 | -1.46413e+01 | |||
| Coefficient B | 3.49220e+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. | 467.74 | |||
| Temperature range, max. | 796.42 | |||
| η | 0.0007654 | Pa×s | 467.74 | Calculated Property |
| η | 0.0004457 | Pa×s | 504.26 | Calculated Property |
| η | 0.0002792 | Pa×s | 540.78 | Calculated Property |
| η | 0.0001856 | Pa×s | 577.30 | Calculated Property |
| η | 0.0001295 | Pa×s | 613.82 | Calculated Property |
| η | 0.0000941 | Pa×s | 650.34 | Calculated Property |
| η | 0.0000707 | Pa×s | 686.86 | Calculated Property |
| η | 0.0000547 | Pa×s | 723.38 | Calculated Property |
| η | 0.0000434 | Pa×s | 759.90 | Calculated Property |
| η | 0.0000351 | Pa×s | 796.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-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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