- InChI
- InChI=1S/C14H26O5/c1-6-14(7-2,12(15)18-9-8-17-5)13(16)19-10-11(3)4/h11H,6-10H2,1-5H3
- InChI Key
- SPYJIKSVBPVIQZ-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
-
CCC(CC)(C(=O)OCCOC)C(=O)OCC(C)
C - Molecular Weight1
- 274.36
- 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 | -1064.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.182 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | [1570.00; 1570.00] |
|
|
| Inp | 1570.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Tboil | 556.25 | K | Relay (1.0) Calculated Property |
| Tc | 728.24 | K | Relay (1.0) Calculated Property |
| Tfus | 263.08 | 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 | [348.78; 778.32] | 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 | 4.03250e+01 | |||
| Coefficient B | 1.29280e+00 | |||
| Coefficient C | -6.12600e-04 | |||
| Coefficient D | 5.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 348.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 423.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 551.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 605.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 652.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 693.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 727.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 755.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 778.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030709; 0.0001010] | Pa×s | [341.85; 584.99] |
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 | -1.40016e+01 | |||
| Coefficient B | 2.80857e+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. | 341.85 | |||
| Temperature range, max. | 584.99 | |||
| η | 0.0030709 | Pa×s | 341.85 | Calculated Property |
| η | 0.0016825 | Pa×s | 368.87 | Calculated Property |
| η | 0.0010006 | Pa×s | 395.88 | Calculated Property |
| η | 0.0006360 | Pa×s | 422.90 | Calculated Property |
| η | 0.0004268 | Pa×s | 449.91 | Calculated Property |
| η | 0.0002997 | Pa×s | 476.93 | Calculated Property |
| η | 0.0002186 | Pa×s | 503.95 | Calculated Property |
| η | 0.0001646 | Pa×s | 530.96 | Calculated Property |
| η | 0.0001274 | Pa×s | 557.98 | Calculated Property |
| η | 0.0001010 | Pa×s | 584.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-methoxyethyl ester.
Sources
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