- InChI
- InChI=1S/C22H25IO4/c1-2-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16-17-10-9-11-18(23)15-17/h6-7,9-13,15H,2-5,8,14,16H2,1H3
- InChI Key
- PRWRROMSUZTFMJ-UHFFFAOYSA-N
- Formula
- C22H25IO4
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCc1
cccc(I)c1 - Molecular Weight1
- 480.34
- 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° | -69.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 5.775 | Crippen Calculated Property | |
| McVol | 314.020 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | 3106.00 | NIST | |
| Tboil | 1011.80 | K | Joback Calculated Property |
| Tc | 1253.13 | K | Joback Calculated Property |
| Tfus | 617.96 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [939.11; 991.19] | J/mol×K | [1011.80; 1253.13] | 
|
| Cp,gas | 939.11 | J/mol×K | 1011.80 | Joback Calculated Property |
| Cp,gas | 950.86 | J/mol×K | 1052.02 | Joback Calculated Property |
| Cp,gas | 961.30 | J/mol×K | 1092.24 | Joback Calculated Property |
| Cp,gas | 970.48 | J/mol×K | 1132.47 | Joback Calculated Property |
| Cp,gas | 978.49 | J/mol×K | 1172.69 | Joback Calculated Property |
| Cp,gas | 985.37 | J/mol×K | 1212.91 | Joback Calculated Property |
| Cp,gas | 991.19 | J/mol×K | 1253.13 | Joback Calculated Property |
| η | [0.0000303; 0.0002640] | Pa×s | [617.96; 1011.80] |
|
| η | 0.0002640 | Pa×s | 617.96 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 683.60 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 749.24 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 814.88 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 880.52 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 946.16 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 1011.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 3-iodobenzyl ester.
Sources
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