- InChI
- InChI=1S/C23H28O4/c1-3-4-6-9-18(2)26-22(24)16-17-23(25)27-21-14-12-20(13-15-21)19-10-7-5-8-11-19/h5,7-8,10-15,18H,3-4,6,9,16-17H2,1-2H3
- InChI Key
- FYAJAWZPUKQVSN-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(-
c2ccccc2)cc1 - Molecular Weight1
- 368.47
- 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 | -684.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.551 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Inp | [2923.00; 2923.00] |
|
|
| Inp | 2923.00 | NIST | |
| Inp | 2923.00 | NIST | |
| Tboil | 684.27 | K | Relay (1.0) Calculated Property |
| Tfus | 346.85 | 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 | [413.80; 982.59] | 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 | -2.23940e+01 | |||
| Coefficient B | 1.86784e+00 | |||
| Coefficient C | -1.03676e-03 | |||
| Coefficient D | 1.73900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 607.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 688.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 759.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 820.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 873.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 917.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 953.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 982.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006023; 0.0000442] | Pa×s | [483.99; 783.40] |
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 | -1.42516e+01 | |||
| Coefficient B | 3.30896e+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. | 483.99 | |||
| Temperature range, max. | 783.40 | |||
| η | 0.0006023 | Pa×s | 483.99 | Calculated Property |
| η | 0.0003880 | Pa×s | 517.26 | Calculated Property |
| η | 0.0002636 | Pa×s | 550.52 | Calculated Property |
| η | 0.0001872 | Pa×s | 583.79 | Calculated Property |
| η | 0.0001379 | Pa×s | 617.06 | Calculated Property |
| η | 0.0001048 | Pa×s | 650.33 | Calculated Property |
| η | 0.0000818 | Pa×s | 683.59 | Calculated Property |
| η | 0.0000654 | Pa×s | 716.86 | Calculated Property |
| η | 0.0000533 | Pa×s | 750.13 | Calculated Property |
| η | 0.0000442 | Pa×s | 783.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 4-biphenyl 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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