- InChI
- InChI=1S/C9H13Cl3O4/c1-2-15-7(13)4-3-5-8(14)16-6-9(10,11)12/h2-6H2,1H3
- InChI Key
- HEIUDQJBMQGCNV-UHFFFAOYSA-N
- Formula
- C9H13Cl3O4
- SMILES
- CCOC(=O)CCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 291.56
- 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 | 0.6378 | Relay (1.0) Calculated Property | |
| ΔfG° | -628.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.633 | Crippen Calculated Property | |
| McVol | 189.270 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [1703.00; 1703.00] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1703.00 | NIST | |
| Tboil | 554.60 | K | Relay (1.0) Calculated Property |
| Tc | 741.87 | K | Relay (1.0) Calculated Property |
| Tfus | 306.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.83; 526.14] | 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 | 5.97250e+01 | |||
| Coefficient B | 8.95420e-01 | |||
| Coefficient C | -5.09600e-04 | |||
| Coefficient D | 8.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 267.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 316.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 359.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 396.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 429.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 457.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 480.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 499.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 514.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 526.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024946; 0.0001700] | Pa×s | [368.03; 581.63] |
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 | -1.33078e+01 | |||
| Coefficient B | 2.69182e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 368.03 | |||
| Temperature range, max. | 581.63 | |||
| η | 0.0024946 | Pa×s | 368.03 | Calculated Property |
| η | 0.0016017 | Pa×s | 391.76 | Calculated Property |
| η | 0.0010817 | Pa×s | 415.50 | Calculated Property |
| η | 0.0007622 | Pa×s | 439.23 | Calculated Property |
| η | 0.0005567 | Pa×s | 462.96 | Calculated Property |
| η | 0.0004193 | Pa×s | 486.69 | Calculated Property |
| η | 0.0003242 | Pa×s | 510.43 | Calculated Property |
| η | 0.0002565 | Pa×s | 534.16 | Calculated Property |
| η | 0.0002070 | Pa×s | 557.89 | Calculated Property |
| η | 0.0001700 | Pa×s | 581.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl 2,2,2-trichloroethyl ester.
Sources
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