- InChI
- InChI=1S/C11H19ClO4/c1-3-15-10(13)6-4-5-7-11(14)16-8-9(2)12/h9H,3-8H2,1-2H3
- InChI Key
- YPDLKKUWTDPFLB-UHFFFAOYSA-N
- Formula
- C11H19ClO4
- SMILES
- CCOC(=O)CCCCC(=O)OCC(C)Cl
- Molecular Weight1
- 250.72
- 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 | 0.7199 | Relay (1.0) Calculated Property | |
| ΔfG° | -593.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.280 | Crippen Calculated Property | |
| McVol | 192.970 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | 1655.00 | NIST | |
| Tboil | 552.72 | K | Relay (1.0) Calculated Property |
| Tc | 722.80 | K | Relay (1.0) Calculated Property |
| Tfus | 265.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.60; 611.86] | 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 | 5.49160e+01 | |||
| Coefficient B | 9.51940e-01 | |||
| Coefficient C | -4.09000e-04 | |||
| Coefficient D | 1.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 284.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 392.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 438.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 480.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 516.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 547.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 573.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 595.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 611.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044419; 0.0001796] | Pa×s | [313.31; 550.19] |
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 | -1.28687e+01 | |||
| Coefficient B | 2.33478e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 313.31 | |||
| Temperature range, max. | 550.19 | |||
| η | 0.0044419 | Pa×s | 313.31 | Calculated Property |
| η | 0.0024933 | Pa×s | 339.63 | Calculated Property |
| η | 0.0015207 | Pa×s | 365.95 | Calculated Property |
| η | 0.0009911 | Pa×s | 392.27 | Calculated Property |
| η | 0.0006817 | Pa×s | 418.59 | Calculated Property |
| η | 0.0004901 | Pa×s | 444.91 | Calculated Property |
| η | 0.0003656 | Pa×s | 471.23 | Calculated Property |
| η | 0.0002813 | Pa×s | 497.55 | Calculated Property |
| η | 0.0002222 | Pa×s | 523.87 | Calculated Property |
| η | 0.0001796 | Pa×s | 550.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2-chloropropyl ethyl ester.
Sources
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