- InChI
- InChI=1S/C24H22O6/c1-27-19-9-5-7-17(13-19)15-29-23(25)21-11-3-4-12-22(21)24(26)30-16-18-8-6-10-20(14-18)28-2/h3-14H,15-16H2,1-2H3
- InChI Key
- DFMPZCOFANJDFT-UHFFFAOYSA-N
- Formula
- C24H22O6
- SMILES
-
COc1cccc(COC(=O)c2ccccc2C(=O)O
Cc2cccc(OC)c2)c1 - Molecular Weight1
- 406.43
- 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 | 1.0127 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.418 | Crippen Calculated Property | |
| McVol | 304.360 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | [3267.00; 3267.00] |
|
|
| Inp | 3267.00 | NIST | |
| Inp | 3267.00 | NIST | |
| Tboil | 723.74 | K | Relay (1.0) Calculated Property |
| Tc | 1020.48 | K | Relay (1.0) Calculated Property |
| Tfus | 342.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.115 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.79; 982.11] | J/mol×K | [1040.92; 1286.89] |
|
| Cp,gas | 955.79 | J/mol×K | 1040.92 | Joback Calculated Property |
| Cp,gas | 964.83 | J/mol×K | 1081.91 | Joback Calculated Property |
| Cp,gas | 971.97 | J/mol×K | 1122.91 | Joback Calculated Property |
| Cp,gas | 977.22 | J/mol×K | 1163.90 | Joback Calculated Property |
| Cp,gas | 980.59 | J/mol×K | 1204.90 | Joback Calculated Property |
| Cp,gas | 982.11 | J/mol×K | 1245.89 | Joback Calculated Property |
| Cp,gas | 981.79 | J/mol×K | 1286.89 | Joback Calculated Property |
| η | [0.0000191; 0.0001267] | Pa×s | [665.84; 1040.92] |
|
| η | 0.0001267 | Pa×s | 665.84 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 728.35 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 790.87 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 853.38 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 915.89 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 978.41 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 1040.92 | Joback Calculated Property |
Similar Compounds
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Sources
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