- 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.90; 784.61] | J/mol×K | [677.55; 859.86] |
|
| Cp,gas | 695.90 | J/mol×K | 677.55 | Joback Calculated Property |
| Cp,gas | 713.06 | J/mol×K | 707.94 | Joback Calculated Property |
| Cp,gas | 729.26 | J/mol×K | 738.32 | Joback Calculated Property |
| Cp,gas | 744.50 | J/mol×K | 768.71 | Joback Calculated Property |
| Cp,gas | 758.80 | J/mol×K | 799.09 | Joback Calculated Property |
| Cp,gas | 772.17 | J/mol×K | 829.48 | Joback Calculated Property |
| Cp,gas | 784.61 | J/mol×K | 859.86 | Joback Calculated Property |
| η | [0.0000480; 0.0037427] | Pa×s | [338.12; 677.55] |
|
| η | 0.0037427 | Pa×s | 338.12 | Joback Calculated Property |
| η | 0.0010760 | Pa×s | 394.69 | Joback Calculated Property |
| η | 0.0004229 | Pa×s | 451.26 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 507.83 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 564.41 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 620.98 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 677.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isobutyl 1-tert-butoxyprop-2-yl ester.
Sources
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