- InChI
- InChI=1S/C12H20O4/c1-7(13)15-9-11(3,4)10(12(9,5)6)16-8(2)14/h9-10H,1-6H3
- InChI Key
- INCLPCMHSAPRGR-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
-
CC(=O)OC1C(C)(C)C(OC(C)=O)C1(C
)C - Molecular Weight1
- 228.28
- CAS
- 4868-08-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5376 | Relay (... Calculated Property | |
| ΔfG° | -403.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -870.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.92 | kJ/mol | Relay (... Calculated Property |
| IE | 9.04 | eV | Relay (... Calculated Property |
| log10WS | -2.41 | Relay (... Calculated Property | |
| logPoct/wat | 1.916 | Crippen Calculated Property | |
| McVol | 183.960 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Tboil | 497.44 | K | Relay (... Calculated Property |
| Tc | 703.02 | K | Relay (... Calculated Property |
| Tfus | 321.88 | K | Relay (... Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.46; 594.89] | J/mol×K | [624.02; 830.34] | 
|
| Cp,gas | 503.46 | J/mol×K | 624.02 | Joback Calculated Property |
| Cp,gas | 519.92 | J/mol×K | 658.41 | Joback Calculated Property |
| Cp,gas | 535.70 | J/mol×K | 692.79 | Joback Calculated Property |
| Cp,gas | 550.95 | J/mol×K | 727.18 | Joback Calculated Property |
| Cp,gas | 565.80 | J/mol×K | 761.56 | Joback Calculated Property |
| Cp,gas | 580.40 | J/mol×K | 795.95 | Joback Calculated Property |
| Cp,gas | 594.89 | J/mol×K | 830.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-1,3-cyclobutanediol, 2,2,4,4-tetramethyl-, diacetate.
Sources
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