- InChI
- InChI=1S/C24H32O4/c1-3-5-6-12-22(4-2)28-24(26)14-9-13-23(25)27-18-19-15-16-20-10-7-8-11-21(20)17-19/h7-8,10-11,15-17,22H,3-6,9,12-14,18H2,1-2H3
- InChI Key
- INIMKVMSLHABON-UHFFFAOYSA-N
- Formula
- C24H32O4
- SMILES
-
CCCCCC(CC)OC(=O)CCCC(=O)OCc1cc
c2ccccc2c1 - Molecular Weight1
- 384.52
- 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).
- 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 | 1.0032 | Relay (1.0) Calculated Property | |
| ΔfusH° | 53.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.74 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.955 | Crippen Calculated Property | |
| McVol | 320.680 | ml/mol | McGowan Calculated Property |
| Pc | 1154.57 | kPa | Joback Calculated Property |
| Inp | [2929.00; 2929.00] |
|
|
| Inp | 2929.00 | NIST | |
| Inp | 2929.00 | NIST | |
| Tboil | 706.28 | K | Relay (1.0) Calculated Property |
| Tc | 929.25 | K | Relay (1.0) Calculated Property |
| Tfus | 302.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.177 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation 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 | [451.27; 1061.92] | 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 | -2.08410e+01 | |||
| Coefficient B | 2.03804e+00 | |||
| Coefficient C | -1.19668e-03 | |||
| Coefficient D | 2.41400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 451.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 561.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 658.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 819.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 885.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 941.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 988.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1028.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1061.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006915; 0.0000741] | Pa×s | [501.54; 789.37] |
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 | -1.34020e+01 | |||
| Coefficient B | 3.07214e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 501.54 | |||
| Temperature range, max. | 789.37 | |||
| η | 0.0006915 | Pa×s | 501.54 | Calculated Property |
| η | 0.0004790 | Pa×s | 533.52 | Calculated Property |
| η | 0.0003459 | Pa×s | 565.50 | Calculated Property |
| η | 0.0002586 | Pa×s | 597.48 | Calculated Property |
| η | 0.0001991 | Pa×s | 629.47 | Calculated Property |
| η | 0.0001573 | Pa×s | 661.45 | Calculated Property |
| η | 0.0001270 | Pa×s | 693.43 | Calculated Property |
| η | 0.0001044 | Pa×s | 725.41 | Calculated Property |
| η | 0.0000873 | Pa×s | 757.39 | Calculated Property |
| η | 0.0000741 | Pa×s | 789.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 3-octyl ester.
Sources
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