- InChI
- InChI=1S/C13H24O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h9-10H,7-8H2,1-6H3
- InChI Key
- HACYJIJMLQDPDS-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
-
CC(C)C(=O)OCC(C)(C)COC(=O)C(C)
C - Molecular Weight1
- 244.33
- Other Names
-
- 2,2-dimethylpropane-1,3-diyl bisisobutyrate
- ω : Acentric Factor.
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6822 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -965.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Tboil | 507.85 | K | Relay (1.0) Calculated Property |
| Tc | 687.37 | K | Relay (1.0) Calculated Property |
| Tfus | 311.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [559.06; 646.65] | J/mol×K | [609.37; 795.05] | 
|
| Cp,gas | 559.06 | J/mol×K | 609.37 | Joback Calculated Property |
| Cp,gas | 575.90 | J/mol×K | 640.32 | Joback Calculated Property |
| Cp,gas | 591.82 | J/mol×K | 671.26 | Joback Calculated Property |
| Cp,gas | 606.83 | J/mol×K | 702.21 | Joback Calculated Property |
| Cp,gas | 620.96 | J/mol×K | 733.16 | Joback Calculated Property |
| Cp,gas | 634.23 | J/mol×K | 764.11 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 795.05 | Joback Calculated Property |
| η | [0.0000869; 0.0090898] | Pa×s | [293.35; 609.37] |
|
| η | 0.0090898 | Pa×s | 293.35 | Joback Calculated Property |
| η | 0.0023219 | Pa×s | 346.02 | Joback Calculated Property |
| η | 0.0008506 | Pa×s | 398.69 | Joback Calculated Property |
| η | 0.0003939 | Pa×s | 451.36 | Joback Calculated Property |
| η | 0.0002143 | Pa×s | 504.03 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 556.70 | Joback Calculated Property |
| η | 0.0000869 | Pa×s | 609.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol diisobutyrate, 2,2-dimethyl.
Sources
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