- InChI
- InChI=1S/C21H37Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-27-19(25)15-12-13-16-20(26)28-18-21(22,23)24/h2-18H2,1H3
- InChI Key
- SKTHCYOSFPAGPW-UHFFFAOYSA-N
- Formula
- C21H37Cl3O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OC
C(Cl)(Cl)Cl - Molecular Weight1
- 459.88
- 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 | 1.0924 | Relay (1.0) Calculated Property | |
| ΔfG° | -374.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1132.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.314 | Crippen Calculated Property | |
| McVol | 358.350 | ml/mol | McGowan Calculated Property |
| Pc | 956.14 | kPa | Joback Calculated Property |
| Inp | [2197.00; 2197.00] |
|
|
| Inp | 2197.00 | NIST | |
| Inp | 2197.00 | NIST | |
| Tboil | 648.67 | K | Relay (1.0) Calculated Property |
| Tc | 841.31 | K | Relay (1.0) Calculated Property |
| Tfus | 323.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.351 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1118.57; 1196.32] | J/mol×K | [941.52; 1152.69] |
|
| Cp,gas | 1118.57 | J/mol×K | 941.52 | Joback Calculated Property |
| Cp,gas | 1134.30 | J/mol×K | 976.71 | Joback Calculated Property |
| Cp,gas | 1148.85 | J/mol×K | 1011.91 | Joback Calculated Property |
| Cp,gas | 1162.27 | J/mol×K | 1047.10 | Joback Calculated Property |
| Cp,gas | 1174.62 | J/mol×K | 1082.30 | Joback Calculated Property |
| Cp,gas | 1185.95 | J/mol×K | 1117.49 | Joback Calculated Property |
| Cp,gas | 1196.32 | J/mol×K | 1152.69 | Joback Calculated Property |
| η | [0.0000211; 0.0003137] | Pa×s | [562.93; 941.52] |
|
| η | 0.0003137 | Pa×s | 562.93 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 626.03 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 689.13 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 752.23 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 815.32 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 878.42 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 941.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,2,2-trichloroethyl tridecyl ester.
Sources
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