- InChI
- InChI=1S/C21H38Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-26-20(24)15-12-13-16-21(25)27-18-19(22)23/h19H,2-18H2,1H3
- InChI Key
- DPSNXKATXBEHMW-UHFFFAOYSA-N
- Formula
- C21H38Cl2O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OC
C(Cl)Cl - Molecular Weight1
- 425.43
- 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 | 1.1156 | Relay (1.0) Calculated Property | |
| ΔfG° | -368.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.748 | Crippen Calculated Property | |
| McVol | 346.110 | ml/mol | McGowan Calculated Property |
| Pc | 971.70 | kPa | Joback Calculated Property |
| Inp | [2798.00; 2798.00] |
|
|
| Inp | 2798.00 | NIST | |
| Inp | 2798.00 | NIST | |
| Tboil | 645.14 | K | Relay (1.0) Calculated Property |
| Tc | 830.65 | K | Relay (1.0) Calculated Property |
| Tfus | 308.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1091.61; 1174.51] | J/mol×K | [906.88; 1110.28] |
|
| Cp,gas | 1091.61 | J/mol×K | 906.88 | Joback Calculated Property |
| Cp,gas | 1108.43 | J/mol×K | 940.78 | Joback Calculated Property |
| Cp,gas | 1124.01 | J/mol×K | 974.68 | Joback Calculated Property |
| Cp,gas | 1138.38 | J/mol×K | 1008.58 | Joback Calculated Property |
| Cp,gas | 1151.56 | J/mol×K | 1042.48 | Joback Calculated Property |
| Cp,gas | 1163.60 | J/mol×K | 1076.38 | Joback Calculated Property |
| Cp,gas | 1174.51 | J/mol×K | 1110.28 | Joback Calculated Property |
| η | [0.0000301; 0.0005208] | Pa×s | [515.59; 906.88] |
|
| η | 0.0005208 | Pa×s | 515.59 | Joback Calculated Property |
| η | 0.0002481 | Pa×s | 580.80 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 646.02 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 711.23 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 776.45 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 841.66 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 906.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2,2-dichloroethyl tridecyl ester.
Sources
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