- InChI
- InChI=1S/C22H25ClO5/c1-2-3-4-9-14-27-21(24)17-10-5-6-11-18(17)22(25)28-16-15-26-20-13-8-7-12-19(20)23/h5-8,10-13H,2-4,9,14-16H2,1H3
- InChI Key
- YQEUOPSLRZXRLY-UHFFFAOYSA-N
- Formula
- C22H25ClO5
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCCOc
1ccccc1Cl - 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° | -244.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.55 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.313 | Crippen Calculated Property | |
| McVol | 306.310 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | [2981.00; 2981.00] |
|
|
| Inp | 2981.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 978.51 | K | Joback Calculated Property |
| Tc | 1206.59 | K | Joback Calculated Property |
| Tfus | 612.05 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.09; 995.81] | J/mol×K | [978.51; 1206.59] |
|
| Cp,gas | 946.09 | J/mol×K | 978.51 | Joback Calculated Property |
| Cp,gas | 958.00 | J/mol×K | 1016.52 | Joback Calculated Property |
| Cp,gas | 968.42 | J/mol×K | 1054.54 | Joback Calculated Property |
| Cp,gas | 977.39 | J/mol×K | 1092.55 | Joback Calculated Property |
| Cp,gas | 984.92 | J/mol×K | 1130.57 | Joback Calculated Property |
| Cp,gas | 991.06 | J/mol×K | 1168.58 | Joback Calculated Property |
| Cp,gas | 995.81 | J/mol×K | 1206.59 | Joback Calculated Property |
| η | [0.0000275; 0.0002173] | Pa×s | [612.05; 978.51] |
|
| η | 0.0002173 | Pa×s | 612.05 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 673.13 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 734.20 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 795.28 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 856.36 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 917.43 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 978.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-chlorophenoxy)ethyl hexyl ester.
Sources
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