- InChI
- InChI=1S/C21H23IO4/c1-2-3-4-7-13-25-20(23)18-11-5-6-12-19(18)21(24)26-15-16-9-8-10-17(22)14-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3
- InChI Key
- IMOGGKVXUVTHBO-UHFFFAOYSA-N
- Formula
- C21H23IO4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
ccc(I)c1 - Molecular Weight1
- 466.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -78.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.90 | kJ/mol | Joback Calculated Property |
| log10WS | -7.31 | Crippen Calculated Property | |
| logPoct/wat | 5.385 | Crippen Calculated Property | |
| McVol | 299.930 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [3105.00; 3105.00] |
|
|
| Inp | 3105.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Tboil | 988.92 | K | Joback Calculated Property |
| Tc | 1230.92 | K | Joback Calculated Property |
| Tfus | 606.69 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.47; 932.31] | J/mol×K | [988.92; 1230.92] |
|
| Cp,gas | 880.47 | J/mol×K | 988.92 | Joback Calculated Property |
| Cp,gas | 892.16 | J/mol×K | 1029.25 | Joback Calculated Property |
| Cp,gas | 902.55 | J/mol×K | 1069.59 | Joback Calculated Property |
| Cp,gas | 911.70 | J/mol×K | 1109.92 | Joback Calculated Property |
| Cp,gas | 919.66 | J/mol×K | 1150.26 | Joback Calculated Property |
| Cp,gas | 926.51 | J/mol×K | 1190.59 | Joback Calculated Property |
| Cp,gas | 932.31 | J/mol×K | 1230.92 | Joback Calculated Property |
| η | [0.0000353; 0.0002969] | Pa×s | [606.69; 988.92] |
|
| η | 0.0002969 | Pa×s | 606.69 | Joback Calculated Property |
| η | 0.0001758 | Pa×s | 670.39 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 734.10 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 797.81 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 861.51 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 925.21 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 988.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexyl 3-iodobenzyl ester.
Sources
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