- InChI
- InChI=1S/C25H26O4/c1-2-8-21-10-5-6-12-23(21)29-25(27)14-7-13-24(26)28-18-19-15-16-20-9-3-4-11-22(20)17-19/h3-6,9-12,15-17H,2,7-8,13-14,18H2,1H3
- InChI Key
- FYXFHVIWFIQVJA-UHFFFAOYSA-N
- Formula
- C25H26O4
- SMILES
-
CCCc1ccccc1OC(=O)CCCC(=O)OCc1c
cc2ccccc2c1 - Molecular Weight1
- 390.48
- 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).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9837 | Relay (1.0) Calculated Property | |
| ΔfusH° | 53.57 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 5.611 | Crippen Calculated Property | |
| McVol | 311.010 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [3264.00; 3264.00] |
|
|
| Inp | 3264.00 | NIST | |
| Inp | 3264.00 | NIST | |
| Tboil | 738.37 | K | Relay (1.0) Calculated Property |
| Tc | 1009.52 | K | Relay (1.0) Calculated Property |
| Tfus | 341.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 | [418.09; 991.41] | 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 | -3.96740e+01 | |||
| Coefficient B | 1.98872e+00 | |||
| Coefficient C | -1.21204e-03 | |||
| Coefficient D | 2.54400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 616.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 698.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 769.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 830.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 881.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 925.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 961.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 991.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004294; 0.0000716] | Pa×s | [566.75; 841.29] |
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 | -1.32416e+01 | |||
| Coefficient B | 3.11064e+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. | 566.75 | |||
| Temperature range, max. | 841.29 | |||
| η | 0.0004294 | Pa×s | 566.75 | Calculated Property |
| η | 0.0003244 | Pa×s | 597.25 | Calculated Property |
| η | 0.0002519 | Pa×s | 627.76 | Calculated Property |
| η | 0.0002002 | Pa×s | 658.26 | Calculated Property |
| η | 0.0001624 | Pa×s | 688.77 | Calculated Property |
| η | 0.0001341 | Pa×s | 719.27 | Calculated Property |
| η | 0.0001125 | Pa×s | 749.78 | Calculated Property |
| η | 0.0000956 | Pa×s | 780.28 | Calculated Property |
| η | 0.0000823 | Pa×s | 810.78 | Calculated Property |
| η | 0.0000716 | Pa×s | 841.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2-propylphenyl ester.
Sources
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