- InChI
- InChI=1S/C22H25ClO5/c1-3-4-5-8-13-27-21(24)18-9-6-7-10-19(18)22(25)28-15-16-11-12-17(23)14-20(16)26-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3
- InChI Key
- CYTFQPPESXZHLR-UHFFFAOYSA-N
- Formula
- C22H25ClO5
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c
cc(Cl)cc1OC - Molecular Weight1
- 404.88
- 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° | -254.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.21 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 5.443 | Crippen Calculated Property | |
| McVol | 306.310 | ml/mol | McGowan Calculated Property |
| Pc | 1397.50 | kPa | Joback Calculated Property |
| Inp | [2878.00; 2878.00] |
|
|
| Inp | 2878.00 | NIST | |
| Inp | 2878.00 | NIST | |
| Tboil | 983.49 | K | Joback Calculated Property |
| Tc | 1212.44 | K | Joback Calculated Property |
| Tfus | 624.57 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.70; 992.78] | J/mol×K | [983.49; 1212.44] |
|
| Cp,gas | 944.70 | J/mol×K | 983.49 | Joback Calculated Property |
| Cp,gas | 956.44 | J/mol×K | 1021.65 | Joback Calculated Property |
| Cp,gas | 966.67 | J/mol×K | 1059.81 | Joback Calculated Property |
| Cp,gas | 975.40 | J/mol×K | 1097.96 | Joback Calculated Property |
| Cp,gas | 982.65 | J/mol×K | 1136.12 | Joback Calculated Property |
| Cp,gas | 988.44 | J/mol×K | 1174.28 | Joback Calculated Property |
| Cp,gas | 992.78 | J/mol×K | 1212.44 | Joback Calculated Property |
| η | [0.0000282; 0.0001969] | Pa×s | [624.57; 983.49] |
|
| η | 0.0001969 | Pa×s | 624.57 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 684.39 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 744.21 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 804.03 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 863.85 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 923.67 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 983.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl hexyl ester.
Sources
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