- 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
- CAS
- 63512-34-5
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 (... Calculated Property | |
| ΔfG° | -411.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -965.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.94 | kJ/mol | Relay (... Calculated Property |
| IE | 9.53 | eV | Relay (... Calculated Property |
| log10WS | -2.92 | Relay (... Calculated Property | |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Tboil | 507.85 | K | Relay (... Calculated Property |
| Tc | 683.75 | K | Relay (... Calculated Property |
| Tfus | 317.64 | K | Relay (... Calculated Property |
| Vc | 0.797 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.06; 656.88] | J/mol×K | [645.31; 835.59] | 
|
| Cp,gas | 572.06 | J/mol×K | 645.31 | Joback Calculated Property |
| Cp,gas | 588.28 | J/mol×K | 677.02 | Joback Calculated Property |
| Cp,gas | 603.65 | J/mol×K | 708.74 | Joback Calculated Property |
| Cp,gas | 618.18 | J/mol×K | 740.45 | Joback Calculated Property |
| Cp,gas | 631.88 | J/mol×K | 772.16 | Joback Calculated Property |
| Cp,gas | 644.77 | J/mol×K | 803.87 | Joback Calculated Property |
| Cp,gas | 656.88 | J/mol×K | 835.59 | Joback Calculated Property |
| η | [0.0001013; 0.0028022] | Pa×s | [353.01; 645.31] |
|
| η | 0.0028022 | Pa×s | 353.01 | Joback Calculated Property |
| η | 0.0011521 | Pa×s | 401.73 | Joback Calculated Property |
| η | 0.0005741 | Pa×s | 450.44 | Joback Calculated Property |
| η | 0.0003278 | Pa×s | 499.16 | Joback Calculated Property |
| η | 0.0002067 | Pa×s | 547.88 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 596.59 | Joback Calculated Property |
| η | 0.0001013 | Pa×s | 645.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol diisobutyrate, 2,2-dimethyl.
Sources
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