- InChI
- InChI=1S/C28H37ClO5/c1-3-4-5-6-7-8-9-10-11-14-19-33-27(30)24-15-12-13-16-25(24)28(31)34-21-22-17-18-23(29)20-26(22)32-2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3
- InChI Key
- WXROEQMAFPMRPJ-UHFFFAOYSA-N
- Formula
- C28H37ClO5
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1ccc(Cl)cc1OC - Molecular Weight1
- 489.04
- 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° | -203.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.57 | kJ/mol | Joback Calculated Property |
| log10WS | -9.48 | Crippen Calculated Property | |
| logPoct/wat | 7.783 | Crippen Calculated Property | |
| McVol | 390.850 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | [3473.00; 3473.00] |
|
|
| Inp | 3473.00 | NIST | |
| Inp | 3473.00 | NIST | |
| Tboil | 1120.77 | K | Joback Calculated Property |
| Tc | 1374.61 | K | Joback Calculated Property |
| Tfus | 692.19 | K | Joback Calculated Property |
| Vc | 1.502 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1303.81; 1342.31] | J/mol×K | [1120.77; 1374.61] |
|
| Cp,gas | 1303.81 | J/mol×K | 1120.77 | Joback Calculated Property |
| Cp,gas | 1315.19 | J/mol×K | 1163.08 | Joback Calculated Property |
| Cp,gas | 1324.50 | J/mol×K | 1205.38 | Joback Calculated Property |
| Cp,gas | 1331.82 | J/mol×K | 1247.69 | Joback Calculated Property |
| Cp,gas | 1337.18 | J/mol×K | 1289.99 | Joback Calculated Property |
| Cp,gas | 1340.66 | J/mol×K | 1332.30 | Joback Calculated Property |
| Cp,gas | 1342.31 | J/mol×K | 1374.61 | Joback Calculated Property |
| η | [0.0000113; 0.0000969] | Pa×s | [692.19; 1120.77] |
|
| η | 0.0000969 | Pa×s | 692.19 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 763.62 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 835.05 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 906.48 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 977.91 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 1049.34 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1120.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl dodecyl ester.
Sources
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