- InChI
- InChI=1S/C17H24O4/c1-12(2)11-20-16(18)6-5-7-17(19)21-15-10-13(3)8-9-14(15)4/h8-10,12H,5-7,11H2,1-4H3
- InChI Key
- ZRVJLRMLQLTYPF-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
Cc1ccc(C)c(OC(=O)CCCC(=O)OCC(C
)C)c1 - Molecular Weight1
- 292.37
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -813.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.578 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2128.00; 2128.00] |
|
|
| Inp | 2128.00 | NIST | |
| Inp | 2128.00 | NIST | |
| Tboil | 615.04 | K | Relay (1.0) Calculated Property |
| Tc | 808.35 | K | Relay (1.0) Calculated Property |
| Tfus | 299.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [346.32; 788.52] | 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 | 3.12640e+01 | |||
| Coefficient B | 1.31728e+00 | |||
| Coefficient C | -6.12120e-04 | |||
| Coefficient D | 5.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 346.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 422.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 492.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 554.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 610.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 658.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 700.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 736.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 765.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 788.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012267; 0.0000939] | Pa×s | [402.47; 658.62] |
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 | -1.33110e+01 | |||
| Coefficient B | 2.65932e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 402.47 | |||
| Temperature range, max. | 658.62 | |||
| η | 0.0012267 | Pa×s | 402.47 | Calculated Property |
| η | 0.0007929 | Pa×s | 430.93 | Calculated Property |
| η | 0.0005410 | Pa×s | 459.39 | Calculated Property |
| η | 0.0003859 | Pa×s | 487.85 | Calculated Property |
| η | 0.0002858 | Pa×s | 516.31 | Calculated Property |
| η | 0.0002183 | Pa×s | 544.77 | Calculated Property |
| η | 0.0001713 | Pa×s | 573.24 | Calculated Property |
| η | 0.0001376 | Pa×s | 601.70 | Calculated Property |
| η | 0.0001127 | Pa×s | 630.16 | Calculated Property |
| η | 0.0000939 | Pa×s | 658.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,5-dimethylphenyl isobutyl ester.
Sources
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