- InChI
- InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-7-8-9-12-15-26-20(24)17-13-10-11-14-18(17)21(25)27-16-19(22)23/h10-11,13-14,19H,2-9,12,15-16H2,1H3
- InChI Key
- QVHQHRHSVMLCEA-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCC(Cl)Cl - Molecular Weight1
- 417.37
- 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° | -265.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 6.335 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Pc | 1195.65 | kPa | Joback Calculated Property |
| Inp | [2822.00; 2822.00] |
|
|
| Inp | 2822.00 | NIST | |
| Inp | 2822.00 | NIST | |
| Tboil | 938.54 | K | Joback Calculated Property |
| Tc | 1152.87 | K | Joback Calculated Property |
| Tfus | 554.53 | K | Joback Calculated Property |
| Vc | 1.244 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.93; 1056.06] | J/mol×K | [938.54; 1152.87] |
|
| Cp,gas | 989.93 | J/mol×K | 938.54 | Joback Calculated Property |
| Cp,gas | 1003.96 | J/mol×K | 974.26 | Joback Calculated Property |
| Cp,gas | 1016.74 | J/mol×K | 1009.98 | Joback Calculated Property |
| Cp,gas | 1028.30 | J/mol×K | 1045.70 | Joback Calculated Property |
| Cp,gas | 1038.69 | J/mol×K | 1081.42 | Joback Calculated Property |
| Cp,gas | 1047.93 | J/mol×K | 1117.15 | Joback Calculated Property |
| Cp,gas | 1056.06 | J/mol×K | 1152.87 | Joback Calculated Property |
| η | [0.0000315; 0.0003839] | Pa×s | [554.53; 938.54] |
|
| η | 0.0003839 | Pa×s | 554.53 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 618.53 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 682.53 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 746.53 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 810.54 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 874.54 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 938.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,2-dichloroethyl undecyl ester.
Sources
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