- InChI
- InChI=1S/C27H35IO4/c1-2-3-4-5-6-7-8-9-10-13-19-31-26(29)24-17-11-12-18-25(24)27(30)32-21-22-15-14-16-23(28)20-22/h11-12,14-18,20H,2-10,13,19,21H2,1H3
- InChI Key
- MADRXMPVBYPPEK-UHFFFAOYSA-N
- Formula
- C27H35IO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1cccc(I)c1 - Molecular Weight1
- 550.47
- 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° | -27.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.82 | Crippen Calculated Property | |
| logPoct/wat | 7.726 | Crippen Calculated Property | |
| McVol | 384.470 | ml/mol | McGowan Calculated Property |
| Pc | 1035.23 | kPa | Joback Calculated Property |
| Inp | 3604.00 | NIST | |
| Tboil | 1126.20 | K | Joback Calculated Property |
| Tc | 1378.79 | K | Joback Calculated Property |
| Tfus | 674.31 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1239.54; 1292.54] | J/mol×K | [1126.20; 1378.79] | 
|
| Cp,gas | 1239.54 | J/mol×K | 1126.20 | Joback Calculated Property |
| Cp,gas | 1251.69 | J/mol×K | 1168.30 | Joback Calculated Property |
| Cp,gas | 1262.38 | J/mol×K | 1210.40 | Joback Calculated Property |
| Cp,gas | 1271.71 | J/mol×K | 1252.50 | Joback Calculated Property |
| Cp,gas | 1279.78 | J/mol×K | 1294.60 | Joback Calculated Property |
| Cp,gas | 1286.69 | J/mol×K | 1336.70 | Joback Calculated Property |
| Cp,gas | 1292.54 | J/mol×K | 1378.79 | Joback Calculated Property |
| η | [0.0000138; 0.0001412] | Pa×s | [674.31; 1126.20] |
|
| η | 0.0001412 | Pa×s | 674.31 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 749.62 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 824.94 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 900.26 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 975.57 | Joback Calculated Property |
| η | 0.0000177 | Pa×s | 1050.88 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 1126.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl 3-iodobenzyl ester.
Sources
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