- InChI
- InChI=1S/C15H27ClO4/c1-2-19-14(17)13-15(18)20-12-10-8-6-4-3-5-7-9-11-16/h2-13H2,1H3
- InChI Key
- CYTQLGHFERDHGV-UHFFFAOYSA-N
- Formula
- C15H27ClO4
- SMILES
- CCOC(=O)CC(=O)OCCCCCCCCCCCl
- Molecular Weight1
- 306.82
- 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 | 0.8923 | Relay (1.0) Calculated Property | |
| ΔfG° | -557.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1013.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.842 | Crippen Calculated Property | |
| McVol | 249.330 | ml/mol | McGowan Calculated Property |
| Pc | 1387.11 | kPa | Joback Calculated Property |
| Inp | [2135.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 587.62 | K | Relay (1.0) Calculated Property |
| Tc | 782.12 | K | Relay (1.0) Calculated Property |
| Tfus | 254.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.948 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.77; 817.68] | 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 | 5.29620e+01 | |||
| Coefficient B | 1.32602e+00 | |||
| Coefficient C | -6.23400e-04 | |||
| Coefficient D | 6.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 446.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 516.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 579.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 635.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 684.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 726.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 763.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 793.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 817.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020947; 0.0001297] | Pa×s | [373.39; 610.65] |
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 | -1.33287e+01 | |||
| Coefficient B | 2.67360e+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. | 373.39 | |||
| Temperature range, max. | 610.65 | |||
| η | 0.0020947 | Pa×s | 373.39 | Calculated Property |
| η | 0.0013063 | Pa×s | 399.75 | Calculated Property |
| η | 0.0008637 | Pa×s | 426.11 | Calculated Property |
| η | 0.0005992 | Pa×s | 452.48 | Calculated Property |
| η | 0.0004328 | Pa×s | 478.84 | Calculated Property |
| η | 0.0003234 | Pa×s | 505.20 | Calculated Property |
| η | 0.0002488 | Pa×s | 531.56 | Calculated Property |
| η | 0.0001961 | Pa×s | 557.92 | Calculated Property |
| η | 0.0001580 | Pa×s | 584.29 | Calculated Property |
| η | 0.0001297 | Pa×s | 610.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 10-chlorodecyl ethyl ester.
Sources
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