- InChI
- InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-28-22(26)19-13-15-20(16-14-19)23(27)29-18-21(24)25/h13-16,21H,2-12,17-18H2,1H3
- InChI Key
- XRBOFPLZFNMGFU-UHFFFAOYSA-N
- Formula
- C23H34Cl2O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)
OCC(Cl)Cl)cc1 - Molecular Weight1
- 445.42
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1611 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -947.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.115 | Crippen Calculated Property | |
| McVol | 350.530 | ml/mol | McGowan Calculated Property |
| Pc | 1051.41 | kPa | Joback Calculated Property |
| Inp | [3158.00; 3158.00] |
|
|
| Inp | 3158.00 | NIST | |
| Inp | 3158.00 | NIST | |
| Tboil | 683.42 | K | Relay (1.0) Calculated Property |
| Tc | 898.45 | K | Relay (1.0) Calculated Property |
| Tfus | 332.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1110.16; 1176.88] | J/mol×K | [984.30; 1205.36] |
|
| Cp,gas | 1110.16 | J/mol×K | 984.30 | Joback Calculated Property |
| Cp,gas | 1124.57 | J/mol×K | 1021.14 | Joback Calculated Property |
| Cp,gas | 1137.61 | J/mol×K | 1057.99 | Joback Calculated Property |
| Cp,gas | 1149.31 | J/mol×K | 1094.83 | Joback Calculated Property |
| Cp,gas | 1159.73 | J/mol×K | 1131.67 | Joback Calculated Property |
| Cp,gas | 1168.90 | J/mol×K | 1168.52 | Joback Calculated Property |
| Cp,gas | 1176.88 | J/mol×K | 1205.36 | Joback Calculated Property |
| η | [0.0000231; 0.0003004] | Pa×s | [577.07; 984.30] |
|
| η | 0.0003004 | Pa×s | 577.07 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 644.94 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 712.81 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 780.68 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 848.56 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 916.43 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 984.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2,2-dichloroethyl tridecyl ester.
Sources
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