- InChI
- InChI=1S/C8H11Cl3O4/c1-2-14-6(12)3-4-7(13)15-5-8(9,10)11/h2-5H2,1H3
- InChI Key
- KTANCHZRFSHKEZ-UHFFFAOYSA-N
- Formula
- C8H11Cl3O4
- SMILES
- CCOC(=O)CCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 277.53
- 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 | 0.5885 | Relay (1.0) Calculated Property | |
| ΔfG° | -637.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.243 | Crippen Calculated Property | |
| McVol | 175.180 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Inp | [1564.00; 1564.00] |
|
|
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Tboil | 537.75 | K | Relay (1.0) Calculated Property |
| Tc | 728.63 | K | Relay (1.0) Calculated Property |
| Tfus | 316.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.62; 474.55] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.06340e+01 | |||
| Coefficient B | 8.00420e-01 | |||
| Coefficient C | -4.55200e-04 | |||
| Coefficient D | 6.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 289.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 415.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 435.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 452.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 465.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028037; 0.0001876] | Pa×s | [356.76; 567.57] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31581e+01 | |||
| Coefficient B | 2.59766e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 356.76 | |||
| Temperature range, max. | 567.57 | |||
| η | 0.0028037 | Pa×s | 356.76 | Calculated Property |
| η | 0.0017902 | Pa×s | 380.18 | Calculated Property |
| η | 0.0012042 | Pa×s | 403.61 | Calculated Property |
| η | 0.0008460 | Pa×s | 427.03 | Calculated Property |
| η | 0.0006166 | Pa×s | 450.45 | Calculated Property |
| η | 0.0004637 | Pa×s | 473.88 | Calculated Property |
| η | 0.0003582 | Pa×s | 497.30 | Calculated Property |
| η | 0.0002832 | Pa×s | 520.72 | Calculated Property |
| η | 0.0002284 | Pa×s | 544.15 | Calculated Property |
| η | 0.0001876 | Pa×s | 567.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, ethyl 2,2,2-trichloroethyl ester.
Sources
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