- InChI
- InChI=1S/C16H29ClO4/c1-2-20-15(18)11-7-8-12-16(19)21-14-10-6-4-3-5-9-13-17/h2-14H2,1H3
- InChI Key
- GGJPRBXSOZNTSB-UHFFFAOYSA-N
- Formula
- C16H29ClO4
- SMILES
- CCOC(=O)CCCCC(=O)OCCCCCCCCCl
- Molecular Weight1
- 320.86
- 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 | 0.9354 | Relay (1.0) Calculated Property | |
| ΔfG° | -548.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1023.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.232 | Crippen Calculated Property | |
| McVol | 263.420 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | 2258.00 | NIST | |
| Tboil | 598.41 | K | Relay (1.0) Calculated Property |
| Tc | 784.12 | K | Relay (1.0) Calculated Property |
| Tfus | 277.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.007 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.98; 869.27] | 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 | 5.20530e+01 | |||
| Coefficient B | 1.42102e+00 | |||
| Coefficient C | -6.77800e-04 | |||
| Coefficient D | 7.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 390.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 473.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 547.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 614.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 673.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 726.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 771.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 810.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 843.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 869.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018591; 0.0001152] | Pa×s | [384.66; 626.98] |
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 | -1.34830e+01 | |||
| Coefficient B | 2.76776e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 384.66 | |||
| Temperature range, max. | 626.98 | |||
| η | 0.0018591 | Pa×s | 384.66 | Calculated Property |
| η | 0.0011611 | Pa×s | 411.58 | Calculated Property |
| η | 0.0007684 | Pa×s | 438.51 | Calculated Property |
| η | 0.0005333 | Pa×s | 465.43 | Calculated Property |
| η | 0.0003853 | Pa×s | 492.36 | Calculated Property |
| η | 0.0002879 | Pa×s | 519.28 | Calculated Property |
| η | 0.0002213 | Pa×s | 546.21 | Calculated Property |
| η | 0.0001745 | Pa×s | 573.13 | Calculated Property |
| η | 0.0001405 | Pa×s | 600.06 | Calculated Property |
| η | 0.0001152 | Pa×s | 626.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 8-chloroctyl ethyl ester.
Sources
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