- InChI
- InChI=1S/C27H18O6/c28-25(31-20-10-4-1-5-11-20)19-16-17-23(26(29)32-21-12-6-2-7-13-21)24(18-19)27(30)33-22-14-8-3-9-15-22/h1-18H
- InChI Key
- ZOUSKILWBXOGIA-UHFFFAOYSA-N
- Formula
- C27H18O6
- SMILES
-
O=C(Oc1ccccc1)c1ccc(C(=O)Oc2cc
ccc2)c(C(=O)Oc2ccccc2)c1 - Molecular Weight1
- 438.43
- CAS
- 3348-09-2
- ω : Acentric Factor.
- 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).
- 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 | 1.0324 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.344 | Crippen Calculated Property | |
| McVol | 318.570 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Tboil | 763.01 | K | Relay (1.0) Calculated Property |
| Tc | 1132.95 | K | Relay (1.0) Calculated Property |
| Tfus | 377.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [986.76; 995.09] | J/mol×K | [1162.71; 1436.10] | 
|
| Cp,gas | 986.76 | J/mol×K | 1162.71 | Joback Calculated Property |
| Cp,gas | 991.28 | J/mol×K | 1208.27 | Joback Calculated Property |
| Cp,gas | 994.03 | J/mol×K | 1253.84 | Joback Calculated Property |
| Cp,gas | 995.09 | J/mol×K | 1299.40 | Joback Calculated Property |
| Cp,gas | 994.58 | J/mol×K | 1344.97 | Joback Calculated Property |
| Cp,gas | 992.58 | J/mol×K | 1390.53 | Joback Calculated Property |
| Cp,gas | 989.19 | J/mol×K | 1436.10 | Joback Calculated Property |
| η | [0.0000157; 0.0001106] | Pa×s | [741.25; 1162.71] |
|
| η | 0.0001106 | Pa×s | 741.25 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 811.49 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 881.74 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 951.98 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 1022.22 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 1092.47 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 1162.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenetricarboxylic acid, 1,2,4-, triphenyl ester.
Sources
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