- InChI
- InChI=1S/C27H24O4/c1-27(2,25(28)30-17-19-11-13-21-7-3-5-9-23(21)15-19)26(29)31-18-20-12-14-22-8-4-6-10-24(22)16-20/h3-16H,17-18H2,1-2H3
- InChI Key
- FTMPIEMKSULARP-UHFFFAOYSA-N
- Formula
- C27H24O4
- SMILES
-
CC(C)(C(=O)OCc1ccc2ccccc2c1)C(
=O)OCc1ccc2ccccc2c1 - Molecular Weight1
- 412.48
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8643 | Relay (1.0) Calculated Property | |
| ΔfG° | 130.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.806 | Crippen Calculated Property | |
| McVol | 319.730 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | 3506.00 | NIST | |
| Tboil | 768.86 | K | Relay (1.0) Calculated Property |
| Tc | 1104.60 | K | Relay (1.0) Calculated Property |
| Tfus | 395.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1027.42; 1103.56] | J/mol×K | [1067.79; 1323.35] | 
|
| Cp,gas | 1027.42 | J/mol×K | 1067.79 | Joback Calculated Property |
| Cp,gas | 1040.98 | J/mol×K | 1110.38 | Joback Calculated Property |
| Cp,gas | 1053.94 | J/mol×K | 1152.98 | Joback Calculated Property |
| Cp,gas | 1066.48 | J/mol×K | 1195.57 | Joback Calculated Property |
| Cp,gas | 1078.80 | J/mol×K | 1238.16 | Joback Calculated Property |
| Cp,gas | 1091.10 | J/mol×K | 1280.75 | Joback Calculated Property |
| Cp,gas | 1103.56 | J/mol×K | 1323.35 | Joback Calculated Property |
| η | [0.0000719; 0.0003858] | Pa×s | [684.07; 1067.79] |
|
| η | 0.0003858 | Pa×s | 684.07 | Joback Calculated Property |
| η | 0.0002586 | Pa×s | 748.02 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 811.98 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 875.93 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 939.88 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 1003.84 | Joback Calculated Property |
| η | 0.0000719 | Pa×s | 1067.79 | Joback Calculated Property |
Similar Compounds
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Sources
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