- InChI
- InChI=1S/C17H14O5/c1-2-21-16(19)12-7-5-8-13(10-12)17(20)22-15-9-4-3-6-14(15)11-18/h3-11H,2H2,1H3
- InChI Key
- YOYKGIOZIUFMLH-UHFFFAOYSA-N
- Formula
- C17H14O5
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccccc2C
=O)c1 - Molecular Weight1
- 298.29
- 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 | 0.8183 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.895 | Crippen Calculated Property | |
| McVol | 219.320 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Inp | [2529.00; 2529.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Tboil | 645.43 | K | Relay (1.0) Calculated Property |
| Tc | 924.62 | K | Relay (1.0) Calculated Property |
| Tfus | 330.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.94; 673.29] | J/mol×K | [852.92; 1086.95] |
|
| Cp,gas | 621.94 | J/mol×K | 852.92 | Joback Calculated Property |
| Cp,gas | 633.43 | J/mol×K | 891.92 | Joback Calculated Property |
| Cp,gas | 643.72 | J/mol×K | 930.93 | Joback Calculated Property |
| Cp,gas | 652.83 | J/mol×K | 969.93 | Joback Calculated Property |
| Cp,gas | 660.78 | J/mol×K | 1008.94 | Joback Calculated Property |
| Cp,gas | 667.59 | J/mol×K | 1047.94 | Joback Calculated Property |
| Cp,gas | 673.29 | J/mol×K | 1086.95 | Joback Calculated Property |
| η | [0.0000927; 0.0005909] | Pa×s | [545.55; 852.92] |
|
| η | 0.0005909 | Pa×s | 545.55 | Joback Calculated Property |
| η | 0.0003800 | Pa×s | 596.78 | Joback Calculated Property |
| η | 0.0002621 | Pa×s | 648.01 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 699.24 | Joback Calculated Property |
| η | 0.0001452 | Pa×s | 750.46 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 801.69 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 852.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-formylphenyl ethyl ester.
Sources
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