- InChI
- InChI=1S/C17H24O6/c1-12(2)11-22-15(18)9-6-10-16(19)23-17-13(20-3)7-5-8-14(17)21-4/h5,7-8,12H,6,9-11H2,1-4H3
- InChI Key
- HWXBRDJNUKSPOK-UHFFFAOYSA-N
- Formula
- C17H24O6
- SMILES
-
COc1cccc(OC)c1OC(=O)CCCC(=O)OC
C(C)C - Molecular Weight1
- 324.37
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1020.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.26 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.979 | Crippen Calculated Property | |
| McVol | 253.250 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [2357.00; 2357.00] |
|
|
| Inp | 2357.00 | NIST | |
| Inp | 2357.00 | NIST | |
| Tboil | 633.27 | K | Relay (1.0) Calculated Property |
| Tc | 823.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [377.13; 825.52] | 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 | 8.22640e+01 | |||
| Coefficient B | 1.19088e+00 | |||
| Coefficient C | -3.90120e-04 | |||
| Coefficient D | -5.75000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 452.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 521.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 584.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 641.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 691.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 772.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 802.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 825.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005628; 0.0000573] | Pa×s | [446.93; 689.43] |
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 | -1.39791e+01 | |||
| Coefficient B | 2.90350e+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. | 446.93 | |||
| Temperature range, max. | 689.43 | |||
| η | 0.0005628 | Pa×s | 446.93 | Calculated Property |
| η | 0.0003890 | Pa×s | 473.87 | Calculated Property |
| η | 0.0002798 | Pa×s | 500.82 | Calculated Property |
| η | 0.0002081 | Pa×s | 527.76 | Calculated Property |
| η | 0.0001593 | Pa×s | 554.71 | Calculated Property |
| η | 0.0001250 | Pa×s | 581.65 | Calculated Property |
| η | 0.0001002 | Pa×s | 608.60 | Calculated Property |
| η | 0.0000819 | Pa×s | 635.54 | Calculated Property |
| η | 0.0000680 | Pa×s | 662.48 | Calculated Property |
| η | 0.0000573 | Pa×s | 689.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethoxyphenyl isobutyl ester.
Sources
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