- InChI
- InChI=1S/C13H24O6/c1-8(16-5)10(3)18-12(14)7-13(15)19-11(4)9(2)17-6/h8-11H,7H2,1-6H3
- InChI Key
- CFGKAIVHVIEZKM-UHFFFAOYSA-N
- Formula
- C13H24O6
- SMILES
-
COC(C)C(C)OC(=O)CC(=O)OC(C)C(C
)OC - Molecular Weight1
- 276.33
- 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).
- 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).
- 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 | -1229.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.58 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 220.650 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | 1477.00 | NIST | |
| Tboil | 551.95 | K | Relay (1.0) Calculated Property |
| Tfus | 259.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [343.49; 745.38] | 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 | 8.61610e+01 | |||
| Coefficient B | 1.02652e+00 | |||
| Coefficient C | -2.85000e-04 | |||
| Coefficient D | -8.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 410.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 471.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 528.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 579.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 624.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 664.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 697.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 725.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056426; 0.0000801] | Pa×s | [305.39; 586.89] |
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 | -1.40494e+01 | |||
| Coefficient B | 2.70942e+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. | 305.39 | |||
| Temperature range, max. | 586.89 | |||
| η | 0.0056426 | Pa×s | 305.39 | Calculated Property |
| η | 0.0024747 | Pa×s | 336.67 | Calculated Property |
| η | 0.0012486 | Pa×s | 367.95 | Calculated Property |
| η | 0.0007012 | Pa×s | 399.22 | Calculated Property |
| η | 0.0004283 | Pa×s | 430.50 | Calculated Property |
| η | 0.0002796 | Pa×s | 461.78 | Calculated Property |
| η | 0.0001927 | Pa×s | 493.06 | Calculated Property |
| η | 0.0001389 | Pa×s | 524.33 | Calculated Property |
| η | 0.0001038 | Pa×s | 555.61 | Calculated Property |
| η | 0.0000801 | Pa×s | 586.89 | Calculated Property |
Similar Compounds
Find more compounds similar to di-(1-Methyl-2-methoxybutyl)malonate.
Sources
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