- InChI
- InChI=1S/C20H21ClO5/c1-14(2)13-26-20(23)16-8-4-3-7-15(16)19(22)25-12-11-24-18-10-6-5-9-17(18)21/h3-10,14H,11-13H2,1-2H3
- InChI Key
- AUXZBRRFVVUULA-UHFFFAOYSA-N
- Formula
- C20H21ClO5
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCCOc
1ccccc1Cl - 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° | -264.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.389 | Crippen Calculated Property | |
| McVol | 278.130 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2732.00; 2732.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 932.31 | K | Joback Calculated Property |
| Tc | 1162.42 | K | Joback Calculated Property |
| Tfus | 574.51 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [830.21; 880.84] | J/mol×K | [932.31; 1162.42] |
|
| Cp,gas | 830.21 | J/mol×K | 932.31 | Joback Calculated Property |
| Cp,gas | 842.18 | J/mol×K | 970.66 | Joback Calculated Property |
| Cp,gas | 852.71 | J/mol×K | 1009.01 | Joback Calculated Property |
| Cp,gas | 861.82 | J/mol×K | 1047.36 | Joback Calculated Property |
| Cp,gas | 869.54 | J/mol×K | 1085.72 | Joback Calculated Property |
| Cp,gas | 875.87 | J/mol×K | 1124.07 | Joback Calculated Property |
| Cp,gas | 880.84 | J/mol×K | 1162.42 | Joback Calculated Property |
| η | [0.0000337; 0.0002906] | Pa×s | [574.51; 932.31] |
|
| η | 0.0002906 | Pa×s | 574.51 | Joback Calculated Property |
| η | 0.0001714 | Pa×s | 634.14 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 693.78 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 753.41 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 813.04 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 872.68 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 932.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-chlorophenoxy)ethyl isobutyl ester.
Sources
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