- InChI
- InChI=1S/C13H15IO4/c1-2-17-12(15)7-8-13(16)18-9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3
- InChI Key
- MHDQPTXYCXZCGB-UHFFFAOYSA-N
- Formula
- C13H15IO4
- SMILES
- CCOC(=O)CCC(=O)OCc1ccccc1I
- Molecular Weight1
- 362.16
- 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 | 0.6787 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.678 | Crippen Calculated Property | |
| McVol | 210.970 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2137.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 628.87 | K | Relay (1.0) Calculated Property |
| Tc | 826.43 | K | Relay (1.0) Calculated Property |
| Tfus | 309.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.49; 593.53] | J/mol×K | [774.22; 1004.72] |
|
| Cp,gas | 534.49 | J/mol×K | 774.22 | Joback Calculated Property |
| Cp,gas | 546.72 | J/mol×K | 812.64 | Joback Calculated Property |
| Cp,gas | 557.97 | J/mol×K | 851.05 | Joback Calculated Property |
| Cp,gas | 568.25 | J/mol×K | 889.47 | Joback Calculated Property |
| Cp,gas | 577.59 | J/mol×K | 927.89 | Joback Calculated Property |
| Cp,gas | 586.01 | J/mol×K | 966.31 | Joback Calculated Property |
| Cp,gas | 593.53 | J/mol×K | 1004.72 | Joback Calculated Property |
| η | [0.0001078; 0.0008737] | Pa×s | [477.59; 774.22] |
|
| η | 0.0008737 | Pa×s | 477.59 | Joback Calculated Property |
| η | 0.0005234 | Pa×s | 527.03 | Joback Calculated Property |
| η | 0.0003424 | Pa×s | 576.47 | Joback Calculated Property |
| η | 0.0002395 | Pa×s | 625.90 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 675.34 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 724.78 | Joback Calculated Property |
| η | 0.0001078 | Pa×s | 774.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 2-iodobenzyl ester.
Sources
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