- InChI
- InChI=1S/C13H24O5/c1-3-5-6-7-8-9-18-13(15)11-16-10-12(14)17-4-2/h3-11H2,1-2H3
- InChI Key
- YFTXYQVFQWGKBS-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CCCCCCCOC(=O)COCC(=O)OCC
- Molecular Weight1
- 260.33
- 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 | 0.8344 | Relay (1.0) Calculated Property | |
| ΔfG° | -667.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.080 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1635.13 | kPa | Joback Calculated Property |
| Inp | [2148.00; 2148.00] |
|
|
| Inp | 2148.00 | NIST | |
| Inp | 2148.00 | NIST | |
| Tboil | 573.08 | K | Relay (1.0) Calculated Property |
| Tc | 737.56 | K | Relay (1.0) Calculated Property |
| Tfus | 260.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.34; 724.73] | 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 | 6.73890e+01 | |||
| Coefficient B | 1.06604e+00 | |||
| Coefficient C | -3.83200e-04 | |||
| Coefficient D | -2.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 329.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 395.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 456.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 511.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 561.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 605.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 644.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 676.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 703.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 724.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022695; 0.0001395] | Pa×s | [343.16; 565.25] |
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 | -1.31870e+01 | |||
| Coefficient B | 2.43605e+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. | 343.16 | |||
| Temperature range, max. | 565.25 | |||
| η | 0.0022695 | Pa×s | 343.16 | Calculated Property |
| η | 0.0014097 | Pa×s | 367.84 | Calculated Property |
| η | 0.0009296 | Pa×s | 392.51 | Calculated Property |
| η | 0.0006440 | Pa×s | 417.19 | Calculated Property |
| η | 0.0004648 | Pa×s | 441.87 | Calculated Property |
| η | 0.0003472 | Pa×s | 466.54 | Calculated Property |
| η | 0.0002671 | Pa×s | 491.22 | Calculated Property |
| η | 0.0002107 | Pa×s | 515.89 | Calculated Property |
| η | 0.0001698 | Pa×s | 540.57 | Calculated Property |
| η | 0.0001395 | Pa×s | 565.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl heptyl ester.
Sources
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