- InChI
- InChI=1S/C17H31ClO4/c1-15(2)14-22-17(20)13-16(19)21-12-10-8-6-4-3-5-7-9-11-18/h15H,3-14H2,1-2H3
- InChI Key
- IJONSIOAQZZMJJ-UHFFFAOYSA-N
- Formula
- C17H31ClO4
- SMILES
-
CC(C)COC(=O)CC(=O)OCCCCCCCCCCC
l - Molecular Weight1
- 334.88
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1063.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.479 | Crippen Calculated Property | |
| McVol | 277.510 | ml/mol | McGowan Calculated Property |
| Pc | 1214.90 | kPa | Joback Calculated Property |
| Inp | [2281.00; 2281.00] |
|
|
| Inp | 2281.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Tboil | 601.57 | K | Relay (1.0) Calculated Property |
| Tc | 795.19 | K | Relay (1.0) Calculated Property |
| Tfus | 250.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.88; 921.40] | 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 | 4.94620e+01 | |||
| Coefficient B | 1.52194e+00 | |||
| Coefficient C | -7.35400e-04 | |||
| Coefficient D | 8.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 411.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 499.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 578.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 650.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 713.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 769.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 817.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 858.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 893.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 921.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021102; 0.0000938] | Pa×s | [380.93; 644.48] |
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 | -1.37732e+01 | |||
| Coefficient B | 2.89974e+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. | 380.93 | |||
| Temperature range, max. | 644.48 | |||
| η | 0.0021102 | Pa×s | 380.93 | Calculated Property |
| η | 0.0012256 | Pa×s | 410.21 | Calculated Property |
| η | 0.0007652 | Pa×s | 439.50 | Calculated Property |
| η | 0.0005067 | Pa×s | 468.78 | Calculated Property |
| η | 0.0003522 | Pa×s | 498.06 | Calculated Property |
| η | 0.0002549 | Pa×s | 527.35 | Calculated Property |
| η | 0.0001909 | Pa×s | 556.63 | Calculated Property |
| η | 0.0001471 | Pa×s | 585.92 | Calculated Property |
| η | 0.0001163 | Pa×s | 615.20 | Calculated Property |
| η | 0.0000938 | Pa×s | 644.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 10-chlorodecyl isobutyl ester.
Sources
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