- InChI
- InChI=1S/C14H24Cl2O4/c1-2-19-13(17)9-7-5-3-4-6-8-10-14(18)20-11-12(15)16/h12H,2-11H2,1H3
- InChI Key
- BVCZMWSVTSHPBM-UHFFFAOYSA-N
- Formula
- C14H24Cl2O4
- SMILES
- CCOC(=O)CCCCCCCCC(=O)OCC(Cl)Cl
- Molecular Weight1
- 327.24
- 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 | 0.8604 | Relay (1.0) Calculated Property | |
| ΔfG° | -580.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.017 | Crippen Calculated Property | |
| McVol | 247.480 | ml/mol | McGowan Calculated Property |
| Pc | 1459.02 | kPa | Joback Calculated Property |
| Inp | 2134.00 | NIST | |
| Tboil | 594.49 | K | Relay (1.0) Calculated Property |
| Tc | 780.64 | K | Relay (1.0) Calculated Property |
| Tfus | 295.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.64; 774.90] | 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 | 6.50800e+01 | |||
| Coefficient B | 1.24372e+00 | |||
| Coefficient C | -5.92600e-04 | |||
| Coefficient D | 5.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 498.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 556.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 608.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 653.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 725.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 753.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 774.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022489; 0.0001192] | Pa×s | [377.04; 625.41] |
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 | -1.34933e+01 | |||
| Coefficient B | 2.78858e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 377.04 | |||
| Temperature range, max. | 625.41 | |||
| η | 0.0022489 | Pa×s | 377.04 | Calculated Property |
| η | 0.0013580 | Pa×s | 404.64 | Calculated Property |
| η | 0.0008746 | Pa×s | 432.23 | Calculated Property |
| η | 0.0005938 | Pa×s | 459.83 | Calculated Property |
| η | 0.0004213 | Pa×s | 487.43 | Calculated Property |
| η | 0.0003100 | Pa×s | 515.02 | Calculated Property |
| η | 0.0002354 | Pa×s | 542.62 | Calculated Property |
| η | 0.0001836 | Pa×s | 570.22 | Calculated Property |
| η | 0.0001465 | Pa×s | 597.82 | Calculated Property |
| η | 0.0001192 | Pa×s | 625.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,2-dichloroethyl ethyl ester.
Sources
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