- InChI
- InChI=1S/C16H14O4/c1-11-3-7-13(8-4-11)15(17)19-20-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
- InChI Key
- AGKBXKFWMQLFGZ-UHFFFAOYSA-N
- Formula
- C16H14O4
- SMILES
-
Cc1ccc(C(=O)OOC(=O)c2ccc(C)cc2
)cc1 - Molecular Weight1
- 270.28
- 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 | 0.8065 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7845.40 ± 7.90 | kJ/mol | NIST |
| ΔfG° | -331.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -451.50 ± 7.90 | kJ/mol | NIST |
| ΔfusH° | 33.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.232 | Crippen Calculated Property | |
| McVol | 203.660 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Tboil | 634.43 | K | Relay (1.0) Calculated Property |
| Tc | 874.11 | K | Relay (1.0) Calculated Property |
| Tfus | 403.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.79; 614.24] | J/mol×K | [745.44; 978.99] | 
|
| Cp,gas | 549.79 | J/mol×K | 745.44 | Joback Calculated Property |
| Cp,gas | 563.71 | J/mol×K | 784.36 | Joback Calculated Property |
| Cp,gas | 576.33 | J/mol×K | 823.29 | Joback Calculated Property |
| Cp,gas | 587.67 | J/mol×K | 862.21 | Joback Calculated Property |
| Cp,gas | 597.75 | J/mol×K | 901.14 | Joback Calculated Property |
| Cp,gas | 606.60 | J/mol×K | 940.06 | Joback Calculated Property |
| Cp,gas | 614.24 | J/mol×K | 978.99 | Joback Calculated Property |
| η | [0.0000745; 0.0008926] | Pa×s | [432.62; 745.44] |
|
| η | 0.0008926 | Pa×s | 432.62 | Joback Calculated Property |
| η | 0.0004723 | Pa×s | 484.76 | Joback Calculated Property |
| η | 0.0002828 | Pa×s | 536.89 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 589.03 | Joback Calculated Property |
| η | 0.0001302 | Pa×s | 641.17 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 693.30 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 745.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis(4-methylbenzoyl)peroxide.
Sources
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