- InChI
- InChI=1S/C29H47ClO4/c1-2-3-4-5-6-7-8-9-11-14-19-24-33-28(31)26-21-16-17-22-27(26)29(32)34-25-20-15-12-10-13-18-23-30/h16-17,21-22H,2-15,18-20,23-25H2,1H3
- InChI Key
- CQNGMAKBAHIWEO-UHFFFAOYSA-N
- Formula
- C29H47ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCCCCCCCCCl - Molecular Weight1
- 495.13
- 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° | -183.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.78 | kJ/mol | Joback Calculated Property |
| log10WS | -10.06 | Crippen Calculated Property | |
| logPoct/wat | 8.891 | Crippen Calculated Property | |
| McVol | 422.830 | ml/mol | McGowan Calculated Property |
| Pc | 758.49 | kPa | Joback Calculated Property |
| Inp | [3582.00; 3582.00] |
|
|
| Inp | 3582.00 | NIST | |
| Inp | 3582.00 | NIST | |
| Tboil | 1084.59 | K | Joback Calculated Property |
| Tc | 1341.47 | K | Joback Calculated Property |
| Tfus | 629.77 | K | Joback Calculated Property |
| Vc | 1.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1458.02; 1534.64] | J/mol×K | [1084.59; 1341.47] |
|
| Cp,gas | 1458.02 | J/mol×K | 1084.59 | Joback Calculated Property |
| Cp,gas | 1475.49 | J/mol×K | 1127.40 | Joback Calculated Property |
| Cp,gas | 1490.93 | J/mol×K | 1170.22 | Joback Calculated Property |
| Cp,gas | 1504.47 | J/mol×K | 1213.03 | Joback Calculated Property |
| Cp,gas | 1516.20 | J/mol×K | 1255.85 | Joback Calculated Property |
| Cp,gas | 1526.22 | J/mol×K | 1298.66 | Joback Calculated Property |
| Cp,gas | 1534.64 | J/mol×K | 1341.47 | Joback Calculated Property |
| η | [0.0000119; 0.0001626] | Pa×s | [629.77; 1084.59] |
|
| η | 0.0001626 | Pa×s | 629.77 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 705.57 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 781.38 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 857.18 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 932.98 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 1008.79 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 1084.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 8-chlorooctyl tridecyl ester.
Sources
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