- InChI
- InChI=1S/C24H30O4/c1-3-4-6-10-19(2)27-23(25)13-9-14-24(26)28-22-17-15-21(16-18-22)20-11-7-5-8-12-20/h5,7-8,11-12,15-19H,3-4,6,9-10,13-14H2,1-2H3
- InChI Key
- MXRSAKRMUBSTES-UHFFFAOYSA-N
- Formula
- C24H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(
-c2ccccc2)cc1 - 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -710.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.36 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.941 | Crippen Calculated Property | |
| McVol | 316.380 | ml/mol | McGowan Calculated Property |
| Inp | [2947.00; 2947.00] |
|
|
| Inp | 2947.00 | NIST | |
| Inp | 2947.00 | NIST | |
| Tboil | 697.08 | K | Relay (1.0) Calculated Property |
| Tfus | 338.76 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [435.01; 1034.18] | 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 | -2.33030e+01 | |||
| Coefficient B | 1.96284e+00 | |||
| Coefficient C | -1.09116e-03 | |||
| Coefficient D | 1.85800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 435.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 638.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 723.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 798.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 863.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 918.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 964.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1003.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1034.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005304; 0.0000388] | Pa×s | [495.26; 799.47] |
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 | -1.44133e+01 | |||
| Coefficient B | 3.40312e+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. | 495.26 | |||
| Temperature range, max. | 799.47 | |||
| η | 0.0005304 | Pa×s | 495.26 | Calculated Property |
| η | 0.0003419 | Pa×s | 529.06 | Calculated Property |
| η | 0.0002324 | Pa×s | 562.86 | Calculated Property |
| η | 0.0001650 | Pa×s | 596.66 | Calculated Property |
| η | 0.0001215 | Pa×s | 630.46 | Calculated Property |
| η | 0.0000923 | Pa×s | 664.27 | Calculated Property |
| η | 0.0000720 | Pa×s | 698.07 | Calculated Property |
| η | 0.0000575 | Pa×s | 731.87 | Calculated Property |
| η | 0.0000468 | Pa×s | 765.67 | Calculated Property |
| η | 0.0000388 | Pa×s | 799.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric 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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