- InChI
- InChI=1S/C19H36O6/c1-14(12-22-18(3,4)5)24-16(20)10-9-11-17(21)25-15(2)13-23-19(6,7)8/h14-15H,9-13H2,1-8H3
- InChI Key
- KAGHLHQNQPUPRR-UHFFFAOYSA-N
- Formula
- C19H36O6
- SMILES
-
CC(COC(C)(C)C)OC(=O)CCCC(=O)OC
(C)COC(C)(C)C - Molecular Weight1
- 360.49
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1378.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.650 | Crippen Calculated Property | |
| McVol | 305.190 | ml/mol | McGowan Calculated Property |
| Pc | 1102.28 | kPa | Joback Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 589.36 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 | [468.48; 1056.78] | 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 | 3.51250e+01 | |||
| Coefficient B | 1.83636e+00 | |||
| Coefficient C | -9.48600e-04 | |||
| Coefficient D | 1.33900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 468.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 571.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 664.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 747.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 821.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 885.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 940.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 986.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1025.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1056.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011650; 0.0000306] | Pa×s | [407.85; 683.77] |
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 | -1.57775e+01 | |||
| Coefficient B | 3.67982e+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. | 407.85 | |||
| Temperature range, max. | 683.77 | |||
| η | 0.0011650 | Pa×s | 407.85 | Calculated Property |
| η | 0.0006200 | Pa×s | 438.51 | Calculated Property |
| η | 0.0003583 | Pa×s | 469.17 | Calculated Property |
| η | 0.0002215 | Pa×s | 499.82 | Calculated Property |
| η | 0.0001447 | Pa×s | 530.48 | Calculated Property |
| η | 0.0000991 | Pa×s | 561.14 | Calculated Property |
| η | 0.0000705 | Pa×s | 591.80 | Calculated Property |
| η | 0.0000519 | Pa×s | 622.46 | Calculated Property |
| η | 0.0000393 | Pa×s | 653.12 | Calculated Property |
| η | 0.0000306 | Pa×s | 683.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(1-(tert-butoxy)prop-2-yl) ester.
Sources
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