- InChI
- InChI=1S/C23H28O4/c1-3-10-18-12-5-7-14-20(18)26-22(24)16-9-17-23(25)27-21-15-8-6-13-19(21)11-4-2/h5-8,12-15H,3-4,9-11,16-17H2,1-2H3
- InChI Key
- XRTOEUTZBWUTSP-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCc1ccccc1OC(=O)CCCC(=O)Oc1cc
ccc1CCC - Molecular Weight1
- 368.47
- 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).
- 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).
- 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 | 0.9997 | Relay (1.0) Calculated Property | |
| ΔfusH° | 51.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.273 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 675.59 | K | Relay (1.0) Calculated Property |
| Tc | 913.50 | K | Relay (1.0) Calculated Property |
| Tfus | 329.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [416.66; 979.01] | 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 | -6.41300e+00 | |||
| Coefficient B | 1.80244e+00 | |||
| Coefficient C | -9.66520e-04 | |||
| Coefficient D | 1.49500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 606.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 686.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 756.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 817.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 869.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 913.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 949.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 979.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004400; 0.0000488] | Pa×s | [511.51; 786.31] |
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 | -1.40236e+01 | |||
| Coefficient B | 3.21988e+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. | 511.51 | |||
| Temperature range, max. | 786.31 | |||
| η | 0.0004400 | Pa×s | 511.51 | Calculated Property |
| η | 0.0003086 | Pa×s | 542.04 | Calculated Property |
| η | 0.0002248 | Pa×s | 572.58 | Calculated Property |
| η | 0.0001691 | Pa×s | 603.11 | Calculated Property |
| η | 0.0001308 | Pa×s | 633.64 | Calculated Property |
| η | 0.0001035 | Pa×s | 664.18 | Calculated Property |
| η | 0.0000837 | Pa×s | 694.71 | Calculated Property |
| η | 0.0000688 | Pa×s | 725.24 | Calculated Property |
| η | 0.0000575 | Pa×s | 755.78 | Calculated Property |
| η | 0.0000488 | Pa×s | 786.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-propylphenyl) ester.
Sources
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