- InChI
- InChI=1S/C19H19IO4/c1-13(2)11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-14-6-5-7-15(20)10-14/h3-10,13H,11-12H2,1-2H3
- InChI Key
- PFSVTGBADPYZBZ-UHFFFAOYSA-N
- Formula
- C19H19IO4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCc1c
ccc(I)c1 - Molecular Weight1
- 438.26
- 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 | 0.8160 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.461 | Crippen Calculated Property | |
| McVol | 271.750 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [2758.00; 2758.00] |
|
|
| Inp | 2758.00 | NIST | |
| Inp | 2758.00 | NIST | |
| Tboil | 687.60 | K | Relay (1.0) Calculated Property |
| Tc | 938.13 | K | Relay (1.0) Calculated Property |
| Tfus | 308.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.50; 816.33] | J/mol×K | [942.72; 1191.93] |
|
| Cp,gas | 765.50 | J/mol×K | 942.72 | Joback Calculated Property |
| Cp,gas | 777.12 | J/mol×K | 984.26 | Joback Calculated Property |
| Cp,gas | 787.40 | J/mol×K | 1025.79 | Joback Calculated Property |
| Cp,gas | 796.41 | J/mol×K | 1067.33 | Joback Calculated Property |
| Cp,gas | 804.20 | J/mol×K | 1108.86 | Joback Calculated Property |
| Cp,gas | 810.82 | J/mol×K | 1150.40 | Joback Calculated Property |
| Cp,gas | 816.33 | J/mol×K | 1191.93 | Joback Calculated Property |
| η | [0.0000434; 0.0004012] | Pa×s | [569.15; 942.72] |
|
| η | 0.0004012 | Pa×s | 569.15 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 631.41 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 693.67 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 755.94 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 818.20 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 880.46 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 942.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-iodobenzyl isobutyl ester.
Sources
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