- InChI
- InChI=1S/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3
- InChI Key
- KDGNCLDCOVTOCS-UHFFFAOYSA-N
- Formula
- C8H16O4
- SMILES
- CC(C)OC(=O)OOC(C)(C)C
- Molecular Weight1
- 176.21
- CAS
- 2372-21-6
- Other Names
-
- O,O-tert-butyl isopropyl monoperoxycarbonate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -427.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.278 | Crippen Calculated Property | |
| McVol | 142.760 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Tboil | 499.90 | K | Joback Calculated Property |
| Tc | 688.09 | K | Joback Calculated Property |
| Tfus | 283.96 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.35; 402.84] | J/mol×K | [499.90; 688.09] | 
|
| Cp,gas | 331.35 | J/mol×K | 499.90 | Joback Calculated Property |
| Cp,gas | 344.57 | J/mol×K | 531.26 | Joback Calculated Property |
| Cp,gas | 357.28 | J/mol×K | 562.63 | Joback Calculated Property |
| Cp,gas | 369.46 | J/mol×K | 593.99 | Joback Calculated Property |
| Cp,gas | 381.12 | J/mol×K | 625.36 | Joback Calculated Property |
| Cp,gas | 392.25 | J/mol×K | 656.72 | Joback Calculated Property |
| Cp,gas | 402.84 | J/mol×K | 688.09 | Joback Calculated Property |
| η | [0.0001618; 0.0031632] | Pa×s | [283.96; 499.90] |
|
| η | 0.0031632 | Pa×s | 283.96 | Joback Calculated Property |
| η | 0.0014584 | Pa×s | 319.95 | Joback Calculated Property |
| η | 0.0007864 | Pa×s | 355.94 | Joback Calculated Property |
| η | 0.0004749 | Pa×s | 391.93 | Joback Calculated Property |
| η | 0.0003122 | Pa×s | 427.92 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 463.91 | Joback Calculated Property |
| η | 0.0001618 | Pa×s | 499.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Peroxycarbonic acid, oo-tert-butyl isopropyl ester.
Sources
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