- InChI
- InChI=1S/C18H17IO4/c1-2-11-22-17(20)13-7-9-14(10-8-13)18(21)23-12-15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3
- InChI Key
- QPSZNHHHNQELKO-UHFFFAOYSA-N
- Formula
- C18H17IO4
- SMILES
-
CCCOC(=O)c1ccc(C(=O)OCc2ccccc2
I)cc1 - Molecular Weight1
- 424.23
- 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° | -103.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 4.215 | Crippen Calculated Property | |
| McVol | 257.660 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [2970.00; 2970.00] |
|
|
| Inp | 2970.00 | NIST | |
| Inp | 2970.00 | NIST | |
| Tboil | 920.28 | K | Joback Calculated Property |
| Tc | 1169.28 | K | Joback Calculated Property |
| Tfus | 572.88 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.27; 758.57] | J/mol×K | [920.28; 1169.28] |
|
| Cp,gas | 708.27 | J/mol×K | 920.28 | Joback Calculated Property |
| Cp,gas | 719.67 | J/mol×K | 961.78 | Joback Calculated Property |
| Cp,gas | 729.80 | J/mol×K | 1003.28 | Joback Calculated Property |
| Cp,gas | 738.70 | J/mol×K | 1044.78 | Joback Calculated Property |
| Cp,gas | 746.43 | J/mol×K | 1086.28 | Joback Calculated Property |
| Cp,gas | 753.04 | J/mol×K | 1127.78 | Joback Calculated Property |
| Cp,gas | 758.57 | J/mol×K | 1169.28 | Joback Calculated Property |
| η | [0.0000552; 0.0004149] | Pa×s | [572.88; 920.28] |
|
| η | 0.0004149 | Pa×s | 572.88 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 630.78 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 688.68 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 746.58 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 804.48 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 862.38 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 920.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-iodobenzyl propyl ester.
Sources
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