- InChI
- InChI=1S/C25H31IO4/c1-2-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19-20-13-12-14-21(26)18-20/h9-10,12-16,18H,2-8,11,17,19H2,1H3
- InChI Key
- LNJPTELGHRUXQH-UHFFFAOYSA-N
- Formula
- C25H31IO4
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
Cc1cccc(I)c1 - Molecular Weight1
- 522.42
- 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° | -44.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.98 | Crippen Calculated Property | |
| logPoct/wat | 6.946 | Crippen Calculated Property | |
| McVol | 356.290 | ml/mol | McGowan Calculated Property |
| Pc | 1176.05 | kPa | Joback Calculated Property |
| Inp | [3408.00; 3408.00] |
|
|
| Inp | 3408.00 | NIST | |
| Inp | 3408.00 | NIST | |
| Tboil | 1080.44 | K | Joback Calculated Property |
| Tc | 1325.38 | K | Joback Calculated Property |
| Tfus | 651.77 | K | Joback Calculated Property |
| Vc | 1.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1118.08; 1170.65] | J/mol×K | [1080.44; 1325.38] |
|
| Cp,gas | 1118.08 | J/mol×K | 1080.44 | Joback Calculated Property |
| Cp,gas | 1130.02 | J/mol×K | 1121.26 | Joback Calculated Property |
| Cp,gas | 1140.59 | J/mol×K | 1162.09 | Joback Calculated Property |
| Cp,gas | 1149.85 | J/mol×K | 1202.91 | Joback Calculated Property |
| Cp,gas | 1157.89 | J/mol×K | 1243.74 | Joback Calculated Property |
| Cp,gas | 1164.80 | J/mol×K | 1284.56 | Joback Calculated Property |
| Cp,gas | 1170.65 | J/mol×K | 1325.38 | Joback Calculated Property |
| η | [0.0000190; 0.0001827] | Pa×s | [651.77; 1080.44] |
|
| η | 0.0001827 | Pa×s | 651.77 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 723.22 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 794.66 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 866.11 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 937.55 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 1009.00 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 1080.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, decyl 3-iodobenzyl ester.
Sources
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