- InChI
- InChI=1S/C14H26O5/c1-3-5-6-7-8-9-10-19-14(16)12-17-11-13(15)18-4-2/h3-12H2,1-2H3
- InChI Key
- HETLXPGGZVPZIP-UHFFFAOYSA-N
- Formula
- C14H26O5
- SMILES
- CCCCCCCCOC(=O)COCC(=O)OCC
- 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 | 0.8703 | Relay (1.0) Calculated Property | |
| ΔfG° | -658.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.470 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [2275.00; 2275.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Tboil | 582.92 | K | Relay (1.0) Calculated Property |
| Tc | 747.76 | K | Relay (1.0) Calculated Property |
| Tfus | 265.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.55; 776.32] | 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 | 6.64800e+01 | |||
| Coefficient B | 1.16104e+00 | |||
| Coefficient C | -4.37600e-04 | |||
| Coefficient D | -1.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 350.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 487.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 546.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 600.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 647.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 689.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 724.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 753.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 776.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020401; 0.0001260] | Pa×s | [354.43; 581.07] |
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 | -1.33336e+01 | |||
| Coefficient B | 2.53021e+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. | 354.43 | |||
| Temperature range, max. | 581.07 | |||
| η | 0.0020401 | Pa×s | 354.43 | Calculated Property |
| η | 0.0012705 | Pa×s | 379.61 | Calculated Property |
| η | 0.0008393 | Pa×s | 404.80 | Calculated Property |
| η | 0.0005820 | Pa×s | 429.98 | Calculated Property |
| η | 0.0004203 | Pa×s | 455.16 | Calculated Property |
| η | 0.0003140 | Pa×s | 480.34 | Calculated Property |
| η | 0.0002415 | Pa×s | 505.53 | Calculated Property |
| η | 0.0001905 | Pa×s | 530.71 | Calculated Property |
| η | 0.0001535 | Pa×s | 555.89 | Calculated Property |
| η | 0.0001260 | Pa×s | 581.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl octyl ester.
Sources
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