- InChI
- InChI=1S/C27H35ClO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
- InChI Key
- FRXAMPFKFUOWTA-UHFFFAOYSA-N
- Formula
- C27H35ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCCc1cccc(Cl)c1 - Molecular Weight1
- 459.02
- 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° | -97.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.27 | kJ/mol | Joback Calculated Property |
| log10WS | -8.86 | Crippen Calculated Property | |
| logPoct/wat | 7.427 | Crippen Calculated Property | |
| McVol | 370.890 | ml/mol | McGowan Calculated Property |
| Pc | 1025.31 | kPa | Joback Calculated Property |
| Inp | [3406.00; 3406.00] |
|
|
| Inp | 3406.00 | NIST | |
| Inp | 3406.00 | NIST | |
| Tboil | 1070.49 | K | Joback Calculated Property |
| Tc | 1310.58 | K | Joback Calculated Property |
| Tfus | 646.17 | K | Joback Calculated Property |
| Vc | 1.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1219.77; 1276.75] | J/mol×K | [1070.49; 1310.58] |
|
| Cp,gas | 1219.77 | J/mol×K | 1070.49 | Joback Calculated Property |
| Cp,gas | 1232.96 | J/mol×K | 1110.51 | Joback Calculated Property |
| Cp,gas | 1244.58 | J/mol×K | 1150.52 | Joback Calculated Property |
| Cp,gas | 1254.69 | J/mol×K | 1190.54 | Joback Calculated Property |
| Cp,gas | 1263.38 | J/mol×K | 1230.55 | Joback Calculated Property |
| Cp,gas | 1270.70 | J/mol×K | 1270.57 | Joback Calculated Property |
| Cp,gas | 1276.75 | J/mol×K | 1310.58 | Joback Calculated Property |
| η | [0.0000175; 0.0001718] | Pa×s | [646.17; 1070.49] |
|
| η | 0.0001718 | Pa×s | 646.17 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 716.89 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 787.61 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 858.33 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 929.05 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 999.77 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 1070.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(3-chlorophenyl)ethyl undecyl ester.
Sources
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