- InChI
- InChI=1S/C17H32O5/c1-3-5-6-7-8-9-10-11-12-13-22-17(19)15-20-14-16(18)21-4-2/h3-15H2,1-2H3
- InChI Key
- XPKKAFUVBMWOPQ-UHFFFAOYSA-N
- Formula
- C17H32O5
- SMILES
- CCCCCCCCCCCOC(=O)COCC(=O)OCC
- Molecular Weight1
- 316.44
- 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 | 0.9772 | Relay (1.0) Calculated Property | |
| ΔfG° | -633.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1135.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.640 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1225.12 | kPa | Joback Calculated Property |
| Inp | [2665.00; 2665.00] |
|
|
| Inp | 2665.00 | NIST | |
| Inp | 2665.00 | NIST | |
| Tboil | 607.29 | K | Relay (1.0) Calculated Property |
| Tc | 775.39 | K | Relay (1.0) Calculated Property |
| Tfus | 281.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.19; 931.09] | 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 | 6.37530e+01 | |||
| Coefficient B | 1.44604e+00 | |||
| Coefficient C | -6.00800e-04 | |||
| Coefficient D | 2.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 414.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 580.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 652.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 716.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 774.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 824.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 866.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 902.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 931.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014399; 0.0000890] | Pa×s | [388.24; 630.45] |
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 | -1.37879e+01 | |||
| Coefficient B | 2.81269e+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. | 388.24 | |||
| Temperature range, max. | 630.45 | |||
| η | 0.0014399 | Pa×s | 388.24 | Calculated Property |
| η | 0.0009003 | Pa×s | 415.15 | Calculated Property |
| η | 0.0005960 | Pa×s | 442.06 | Calculated Property |
| η | 0.0004137 | Pa×s | 468.98 | Calculated Property |
| η | 0.0002988 | Pa×s | 495.89 | Calculated Property |
| η | 0.0002231 | Pa×s | 522.80 | Calculated Property |
| η | 0.0001714 | Pa×s | 549.71 | Calculated Property |
| η | 0.0001350 | Pa×s | 576.63 | Calculated Property |
| η | 0.0001086 | Pa×s | 603.54 | Calculated Property |
| η | 0.0000890 | Pa×s | 630.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl undecyl ester.
Sources
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