- InChI
- InChI=1S/C30H46O12/c1-13-27(5,6)39-35-23(31)19-17-21(25(33)37-41-29(9,10)15-3)22(26(34)38-42-30(11,12)16-4)18-20(19)24(32)36-40-28(7,8)14-2/h17-18H,13-16H2,1-12H3
- InChI Key
- BMLIINUSXIWIJB-UHFFFAOYSA-N
- Formula
- C30H46O12
- SMILES
-
CCC(C)(C)OOC(=O)c1cc(C(=O)OOC(
C)(C)CC)c(C(=O)OOC(C)(C)CC)cc1 C(=O)OOC(C)(C)CC - Molecular Weight1
- 598.69
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -16617.60 ± 6.30 | kJ/mol | NIST |
| ΔfH°gas | -1731.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1761.90 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 58.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.795 | Crippen Calculated Property | |
| McVol | 463.040 | ml/mol | McGowan Calculated Property |
| Tfus | 347.55 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [1544.49; 1605.63] | J/mol×K | [1237.26; 1543.01] | 
|
| Cp,gas | 1605.63 | J/mol×K | 1237.26 | Joback Calculated Property |
| Cp,gas | 1605.14 | J/mol×K | 1288.22 | Joback Calculated Property |
| Cp,gas | 1600.63 | J/mol×K | 1339.18 | Joback Calculated Property |
| Cp,gas | 1592.20 | J/mol×K | 1390.13 | Joback Calculated Property |
| Cp,gas | 1579.96 | J/mol×K | 1441.09 | Joback Calculated Property |
| Cp,gas | 1564.02 | J/mol×K | 1492.05 | Joback Calculated Property |
| Cp,gas | 1544.49 | J/mol×K | 1543.01 | Joback Calculated Property |
| η | [0.0000002; 0.0000048] | Pa×s | [759.76; 1237.26] |
|
| η | 0.0000048 | Pa×s | 759.76 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 839.34 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 918.93 | Joback Calculated Property |
| η | 0.0000007 | Pa×s | 998.51 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 1078.09 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1157.68 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1237.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetra-t-amylperoxypyromellitate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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