- InChI
- InChI=1S/C14H26O5/c1-5-9-18-12(15)14(6-2,7-3)13(16)19-11-10-17-8-4/h5-11H2,1-4H3
- InChI Key
- DBIBEKPRHYHVGE-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
- CCCOC(=O)C(CC)(CC)C(=O)OCCOCC
- Molecular Weight1
- 274.35
- 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 | 0.7432 | Relay (1.0) Calculated Property | |
| ΔfG° | -655.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.326 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | 1586.00 | NIST | |
| Tboil | 556.23 | K | Relay (1.0) Calculated Property |
| Tc | 733.29 | K | Relay (1.0) Calculated Property |
| Tfus | 245.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.833 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.09; 777.79] | 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 | 4.20070e+01 | |||
| Coefficient B | 1.28688e+00 | |||
| Coefficient C | -6.09400e-04 | |||
| Coefficient D | 5.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 349.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 423.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 490.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 551.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 604.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 651.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 726.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 755.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 777.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022359; 0.0001096] | Pa×s | [356.85; 583.46] |
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 | -1.38676e+01 | |||
| Coefficient B | 2.77075e+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. | 356.85 | |||
| Temperature range, max. | 583.46 | |||
| η | 0.0022359 | Pa×s | 356.85 | Calculated Property |
| η | 0.0013403 | Pa×s | 382.03 | Calculated Property |
| η | 0.0008560 | Pa×s | 407.21 | Calculated Property |
| η | 0.0005759 | Pa×s | 432.39 | Calculated Property |
| η | 0.0004048 | Pa×s | 457.56 | Calculated Property |
| η | 0.0002952 | Pa×s | 482.74 | Calculated Property |
| η | 0.0002221 | Pa×s | 507.92 | Calculated Property |
| η | 0.0001716 | Pa×s | 533.10 | Calculated Property |
| η | 0.0001358 | Pa×s | 558.28 | Calculated Property |
| η | 0.0001096 | Pa×s | 583.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-ethoxylethyl propyl ester.
Sources
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