- InChI
- InChI=1S/C13H23ClO4/c1-2-17-12(15)11-13(16)18-10-8-6-4-3-5-7-9-14/h2-11H2,1H3
- InChI Key
- QVPHPCBYJIWUMA-UHFFFAOYSA-N
- Formula
- C13H23ClO4
- SMILES
- CCOC(=O)CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 278.77
- 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 | 0.8205 | Relay (1.0) Calculated Property | |
| ΔfG° | -574.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.062 | Crippen Calculated Property | |
| McVol | 221.150 | ml/mol | McGowan Calculated Property |
| Pc | 1609.00 | kPa | Joback Calculated Property |
| Inp | [1934.00; 1934.00] |
|
|
| Inp | 1934.00 | NIST | |
| Inp | 1934.00 | NIST | |
| Tboil | 571.61 | K | Relay (1.0) Calculated Property |
| Tc | 763.78 | K | Relay (1.0) Calculated Property |
| Tfus | 241.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.837 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.34; 714.50] | 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 | 5.47800e+01 | |||
| Coefficient B | 1.13602e+00 | |||
| Coefficient C | -5.14600e-04 | |||
| Coefficient D | 3.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 393.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 454.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 508.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 599.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 636.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 668.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 693.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 714.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026242; 0.0001610] | Pa×s | [350.85; 578.97] |
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 | -1.30266e+01 | |||
| Coefficient B | 2.48528e+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. | 350.85 | |||
| Temperature range, max. | 578.97 | |||
| η | 0.0026242 | Pa×s | 350.85 | Calculated Property |
| η | 0.0016282 | Pa×s | 376.20 | Calculated Property |
| η | 0.0010730 | Pa×s | 401.54 | Calculated Property |
| η | 0.0007430 | Pa×s | 426.89 | Calculated Property |
| η | 0.0005362 | Pa×s | 452.24 | Calculated Property |
| η | 0.0004005 | Pa×s | 477.58 | Calculated Property |
| η | 0.0003081 | Pa×s | 502.93 | Calculated Property |
| η | 0.0002431 | Pa×s | 528.28 | Calculated Property |
| η | 0.0001960 | Pa×s | 553.62 | Calculated Property |
| η | 0.0001610 | Pa×s | 578.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 8-chlorooctyl ethyl ester.
Sources
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