- InChI
- InChI=1S/C15H28O5/c1-7-14(20-15(4,5)6)19-13(17)9-8-12(16)18-10-11(2)3/h11,14H,7-10H2,1-6H3
- InChI Key
- WTKPGSIDIVANHI-UHFFFAOYSA-N
- Formula
- C15H28O5
- SMILES
-
CCC(OC(=O)CCC(=O)OCC(C)C)OC(C)
(C)C - Molecular Weight1
- 288.38
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1174.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.060 | Crippen Calculated Property | |
| McVol | 242.960 | ml/mol | McGowan Calculated Property |
| Pc | 1445.73 | kPa | Joback Calculated Property |
| Inp | [1708.00; 1708.00] |
|
|
| Inp | 1708.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Tboil | 545.00 | K | Relay (1.0) Calculated Property |
| Tc | 702.57 | K | Relay (1.0) Calculated Property |
| Tfus | 242.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [369.68; 830.45] | 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 | 3.77340e+01 | |||
| Coefficient B | 1.39372e+00 | |||
| Coefficient C | -6.70200e-04 | |||
| Coefficient D | 6.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 522.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 587.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 645.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 695.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 739.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 775.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 806.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 830.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037427; 0.0000828] | Pa×s | [338.12; 601.90] |
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 | -1.42847e+01 | |||
| Coefficient B | 2.94055e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 338.12 | |||
| Temperature range, max. | 601.90 | |||
| η | 0.0037427 | Pa×s | 338.12 | Calculated Property |
| η | 0.0018703 | Pa×s | 367.43 | Calculated Property |
| η | 0.0010355 | Pa×s | 396.74 | Calculated Property |
| η | 0.0006219 | Pa×s | 426.05 | Calculated Property |
| η | 0.0003988 | Pa×s | 455.36 | Calculated Property |
| η | 0.0002699 | Pa×s | 484.67 | Calculated Property |
| η | 0.0001909 | Pa×s | 513.98 | Calculated Property |
| η | 0.0001402 | Pa×s | 543.29 | Calculated Property |
| η | 0.0001063 | Pa×s | 572.59 | Calculated Property |
| η | 0.0000828 | Pa×s | 601.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 1-tert-butoxyprop-2-yl ester.
Sources
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