- InChI
- InChI=1S/C20H21ClO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-8-9-15(21)10-18(14)24-3/h4-10,13H,11-12H2,1-3H3
- InChI Key
- NZIIXFHKKCLSPD-UHFFFAOYSA-N
- Formula
- C20H21ClO5
- SMILES
-
COc1cc(Cl)ccc1COC(=O)c1ccccc1C
(=O)OCC(C)C - Molecular Weight1
- 376.83
- 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° | -273.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.37 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.518 | Crippen Calculated Property | |
| McVol | 278.130 | ml/mol | McGowan Calculated Property |
| Pc | 1632.49 | kPa | Joback Calculated Property |
| Inp | [2619.00; 2619.00] |
|
|
| Inp | 2619.00 | NIST | |
| Inp | 2619.00 | NIST | |
| Tboil | 937.29 | K | Joback Calculated Property |
| Tc | 1168.17 | K | Joback Calculated Property |
| Tfus | 587.03 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.79; 878.07] | J/mol×K | [937.29; 1168.17] |
|
| Cp,gas | 828.79 | J/mol×K | 937.29 | Joback Calculated Property |
| Cp,gas | 840.62 | J/mol×K | 975.77 | Joback Calculated Property |
| Cp,gas | 850.99 | J/mol×K | 1014.25 | Joback Calculated Property |
| Cp,gas | 859.92 | J/mol×K | 1052.73 | Joback Calculated Property |
| Cp,gas | 867.40 | J/mol×K | 1091.21 | Joback Calculated Property |
| Cp,gas | 873.45 | J/mol×K | 1129.69 | Joback Calculated Property |
| Cp,gas | 878.07 | J/mol×K | 1168.17 | Joback Calculated Property |
| η | [0.0000344; 0.0002596] | Pa×s | [587.03; 937.29] |
|
| η | 0.0002596 | Pa×s | 587.03 | Joback Calculated Property |
| η | 0.0001592 | Pa×s | 645.41 | Joback Calculated Property |
| η | 0.0001058 | Pa×s | 703.78 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 762.16 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 820.54 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 878.91 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 937.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl isobutyl ester.
Sources
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