- InChI
- InChI=1S/C15H26O6/c1-4-15(8-18-11-19-9-15)10-21-14(17)6-5-13(16)20-7-12(2)3/h12H,4-11H2,1-3H3
- InChI Key
- LMOZJKVBOJUQKO-UHFFFAOYSA-N
- Formula
- C15H26O6
- SMILES
-
CCC1(COC(=O)CCC(=O)OCC(C)C)COC
OC1 - Molecular Weight1
- 302.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | -1208.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.910 | Crippen Calculated Property | |
| McVol | 237.970 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | 2038.00 | NIST | |
| Tboil | 607.52 | K | Relay (1.0) Calculated Property |
| Tc | 781.42 | K | Relay (1.0) Calculated Property |
| Tfus | 290.99 | 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 | [722.12; 815.47] | J/mol×K | [732.49; 933.52] | 
|
| Cp,gas | 722.12 | J/mol×K | 732.49 | Joback Calculated Property |
| Cp,gas | 739.69 | J/mol×K | 765.99 | Joback Calculated Property |
| Cp,gas | 756.35 | J/mol×K | 799.50 | Joback Calculated Property |
| Cp,gas | 772.18 | J/mol×K | 833.00 | Joback Calculated Property |
| Cp,gas | 787.26 | J/mol×K | 866.51 | Joback Calculated Property |
| Cp,gas | 801.66 | J/mol×K | 900.01 | Joback Calculated Property |
| Cp,gas | 815.47 | J/mol×K | 933.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl ester.
Sources
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