- InChI
- InChI=1S/C31H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-35-30(33)28-17-14-15-18-29(28)31(34)36-25-23-26-19-21-27(32)22-20-26/h14-15,17-22H,2-13,16,23-25H2,1H3
- InChI Key
- AGZGPZKZAHDPCU-UHFFFAOYSA-N
- Formula
- C31H43ClO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCCc1ccc(Cl)cc1 - Molecular Weight1
- 515.12
- 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° | -64.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.17 | kJ/mol | Joback Calculated Property |
| log10WS | -10.54 | Crippen Calculated Property | |
| logPoct/wat | 8.988 | Crippen Calculated Property | |
| McVol | 427.250 | ml/mol | McGowan Calculated Property |
| Pc | 813.07 | kPa | Joback Calculated Property |
| Inp | [3804.00; 3804.00] |
|
|
| Inp | 3804.00 | NIST | |
| Inp | 3804.00 | NIST | |
| Tboil | 1162.01 | K | Joback Calculated Property |
| Tc | 1433.00 | K | Joback Calculated Property |
| Tfus | 691.25 | K | Joback Calculated Property |
| Vc | 1.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1466.43; 1522.21] | J/mol×K | [1162.01; 1433.00] |
|
| Cp,gas | 1466.43 | J/mol×K | 1162.01 | Joback Calculated Property |
| Cp,gas | 1480.20 | J/mol×K | 1207.18 | Joback Calculated Property |
| Cp,gas | 1492.00 | J/mol×K | 1252.34 | Joback Calculated Property |
| Cp,gas | 1501.97 | J/mol×K | 1297.51 | Joback Calculated Property |
| Cp,gas | 1510.24 | J/mol×K | 1342.67 | Joback Calculated Property |
| Cp,gas | 1516.94 | J/mol×K | 1387.84 | Joback Calculated Property |
| Cp,gas | 1522.21 | J/mol×K | 1433.00 | Joback Calculated Property |
| η | [0.0000093; 0.0001030] | Pa×s | [691.25; 1162.01] |
|
| η | 0.0001030 | Pa×s | 691.25 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 769.71 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 848.17 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 926.63 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 1005.09 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 1083.55 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 1162.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-chlorophenyl)ethyl pentadecyl ester.
Sources
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