- InChI
- InChI=1S/C29H39ClO4/c1-2-3-4-5-6-7-8-9-10-11-14-22-33-28(31)26-15-12-13-16-27(26)29(32)34-23-21-24-17-19-25(30)20-18-24/h12-13,15-20H,2-11,14,21-23H2,1H3
- InChI Key
- XKVMFXJYZQTTPL-UHFFFAOYSA-N
- Formula
- C29H39ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCCc1ccc(Cl)cc1 - Molecular Weight1
- 487.07
- 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° | -80.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.72 | kJ/mol | Joback Calculated Property |
| log10WS | -9.70 | Crippen Calculated Property | |
| logPoct/wat | 8.207 | Crippen Calculated Property | |
| McVol | 399.070 | ml/mol | McGowan Calculated Property |
| Pc | 909.98 | kPa | Joback Calculated Property |
| Inp | [3603.00; 3603.00] |
|
|
| Inp | 3603.00 | NIST | |
| Inp | 3603.00 | NIST | |
| Tboil | 1116.25 | K | Joback Calculated Property |
| Tc | 1369.17 | K | Joback Calculated Property |
| Tfus | 668.71 | K | Joback Calculated Property |
| Vc | 1.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1342.53; 1398.90] | J/mol×K | [1116.25; 1369.17] |
|
| Cp,gas | 1342.53 | J/mol×K | 1116.25 | Joback Calculated Property |
| Cp,gas | 1355.96 | J/mol×K | 1158.40 | Joback Calculated Property |
| Cp,gas | 1367.65 | J/mol×K | 1200.56 | Joback Calculated Property |
| Cp,gas | 1377.69 | J/mol×K | 1242.71 | Joback Calculated Property |
| Cp,gas | 1386.18 | J/mol×K | 1284.86 | Joback Calculated Property |
| Cp,gas | 1393.22 | J/mol×K | 1327.01 | Joback Calculated Property |
| Cp,gas | 1398.90 | J/mol×K | 1369.17 | Joback Calculated Property |
| η | [0.0000128; 0.0001336] | Pa×s | [668.71; 1116.25] |
|
| η | 0.0001336 | Pa×s | 668.71 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 743.30 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 817.89 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 892.48 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 967.07 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 1041.66 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 1116.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-chlorophenyl)ethyl tridecyl ester.
Sources
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