- InChI
- InChI=1S/C15H28O4/c1-11(2)10-18-13(16)7-8-14(17)19-12(3)9-15(4,5)6/h11-12H,7-10H2,1-6H3
- InChI Key
- PKIYWRNEGULLAY-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CC(C)COC(=O)CCC(=O)OC(C)CC(C)(
C)C - Molecular Weight1
- 272.38
- 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 | -1017.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [1636.00; 1636.00] |
|
|
| Inp | 1636.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Tboil | 543.16 | K | Relay (1.0) Calculated Property |
| Tc | 707.13 | K | Relay (1.0) Calculated Property |
| Tfus | 276.72 | 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 | [680.58; 769.22] | J/mol×K | [691.07; 878.32] |
|
| Cp,gas | 680.58 | J/mol×K | 691.07 | Joback Calculated Property |
| Cp,gas | 697.58 | J/mol×K | 722.28 | Joback Calculated Property |
| Cp,gas | 713.66 | J/mol×K | 753.49 | Joback Calculated Property |
| Cp,gas | 728.85 | J/mol×K | 784.70 | Joback Calculated Property |
| Cp,gas | 743.16 | J/mol×K | 815.90 | Joback Calculated Property |
| Cp,gas | 756.61 | J/mol×K | 847.11 | Joback Calculated Property |
| Cp,gas | 769.22 | J/mol×K | 878.32 | Joback Calculated Property |
| η | [0.0000764; 0.0022315] | Pa×s | [375.55; 691.07] |
|
| η | 0.0022315 | Pa×s | 375.55 | Joback Calculated Property |
| η | 0.0009002 | Pa×s | 428.14 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 480.72 | Joback Calculated Property |
| η | 0.0002507 | Pa×s | 533.31 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 585.90 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 638.48 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 691.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4,4-dimethylpent-2-yl isobutyl ester.
Sources
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