- InChI
- InChI=1S/C22H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-22(24)20-25-19-21(23)26-4-2/h3-20H2,1-2H3
- InChI Key
- FBNVTOMXONNYQM-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)COCC(=O)
OCC - Molecular Weight1
- 386.57
- 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 | 1.1531 | Relay (1.0) Calculated Property | |
| ΔfG° | -591.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1234.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.591 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 898.02 | kPa | Joback Calculated Property |
| Inp | [3375.00; 3375.00] |
|
|
| Inp | 3375.00 | NIST | |
| Inp | 3375.00 | NIST | |
| Tboil | 641.93 | K | Relay (1.0) Calculated Property |
| Tc | 815.21 | K | Relay (1.0) Calculated Property |
| Tfus | 304.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.328 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.26; 1189.05] | 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 | 5.92080e+01 | |||
| Coefficient B | 1.92104e+00 | |||
| Coefficient C | -8.72800e-04 | |||
| Coefficient D | 8.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 520.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 633.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 735.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 828.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 911.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 984.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1049.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1104.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1150.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1189.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007486; 0.0000440] | Pa×s | [444.59; 721.44] |
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 | -1.45827e+01 | |||
| Coefficient B | 3.28349e+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. | 444.59 | |||
| Temperature range, max. | 721.44 | |||
| η | 0.0007486 | Pa×s | 444.59 | Calculated Property |
| η | 0.0004642 | Pa×s | 475.35 | Calculated Property |
| η | 0.0003051 | Pa×s | 506.11 | Calculated Property |
| η | 0.0002104 | Pa×s | 536.87 | Calculated Property |
| η | 0.0001510 | Pa×s | 567.63 | Calculated Property |
| η | 0.0001122 | Pa×s | 598.39 | Calculated Property |
| η | 0.0000858 | Pa×s | 629.16 | Calculated Property |
| η | 0.0000673 | Pa×s | 659.92 | Calculated Property |
| η | 0.0000539 | Pa×s | 690.68 | Calculated Property |
| η | 0.0000440 | Pa×s | 721.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl hexadecyl ester.
Sources
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