- InChI
- InChI=1S/C18H22O10/c1-17(2,3)27-25-15(23)11-7-10(14(21)22)12(8-9(11)13(19)20)16(24)26-28-18(4,5)6/h7-8H,1-6H3,(H,19,20)(H,21,22)
- InChI Key
- MXFZJFCNTQTGHU-UHFFFAOYSA-N
- Formula
- C18H22O10
- SMILES
-
CC(C)(C)OOC(=O)c1cc(C(=O)O)c(C
(=O)OOC(C)(C)C)cc1C(=O)O - Molecular Weight1
- 398.36
- CAS
- 82234-37-5
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 | 1.3331 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -8566.10 ± 6.00 | kJ/mol | NIST |
| ΔfG° | -1019.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1471.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1661.80 ± 6.00 | kJ/mol | NIST |
| ΔfusH° | 39.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.857 | Crippen Calculated Property | |
| McVol | 282.220 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Tboil | 649.84 | K | Relay (1.0) Calculated Property |
| Tc | 922.44 | K | Relay (1.0) Calculated Property |
| Tfus | 461.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.47; 925.22] | J/mol×K | [1135.92; 1396.14] | 
|
| Cp,gas | 916.47 | J/mol×K | 1135.92 | Joback Calculated Property |
| Cp,gas | 921.08 | J/mol×K | 1179.29 | Joback Calculated Property |
| Cp,gas | 923.99 | J/mol×K | 1222.66 | Joback Calculated Property |
| Cp,gas | 925.22 | J/mol×K | 1266.03 | Joback Calculated Property |
| Cp,gas | 924.82 | J/mol×K | 1309.40 | Joback Calculated Property |
| Cp,gas | 922.80 | J/mol×K | 1352.77 | Joback Calculated Property |
| Cp,gas | 919.21 | J/mol×K | 1396.14 | Joback Calculated Property |
| η | [0.0000002; 0.0000046] | Pa×s | [771.72; 1135.92] |
|
| η | 0.0000046 | Pa×s | 771.72 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 832.42 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 893.12 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 953.82 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 1014.52 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1075.22 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1135.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Di-t-butylperoxy pyromellitate.
Sources
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