- InChI
- InChI=1S/C24H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-28-23(25)20-27-21-24(26)29-19-16-17-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- HJVUPVGAQBIUSD-UHFFFAOYSA-N
- Formula
- C24H46O5
- SMILES
-
CCCCCCCCCCCCCCOC(=O)COCC(=O)OC
CCC(C)C - Molecular Weight1
- 414.62
- 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 | 1.1976 | Relay (1.0) Calculated Property | |
| ΔfG° | -576.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1286.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.227 | Crippen Calculated Property | |
| McVol | 369.770 | ml/mol | McGowan Calculated Property |
| Pc | 806.62 | kPa | Joback Calculated Property |
| Inp | [3544.00; 3544.00] |
|
|
| Inp | 3544.00 | NIST | |
| Inp | 3544.00 | NIST | |
| Tboil | 656.48 | K | Relay (1.0) Calculated Property |
| Tc | 826.84 | K | Relay (1.0) Calculated Property |
| Tfus | 293.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.419 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.38; 1292.77] | 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 | 5.57080e+01 | |||
| Coefficient B | 2.11696e+00 | |||
| Coefficient C | -9.84800e-04 | |||
| Coefficient D | 1.04900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 562.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 686.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 798.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 899.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 989.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1069.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1139.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1200.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1251.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1292.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006877; 0.0000294] | Pa×s | [452.13; 761.08] |
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 | -1.50446e+01 | |||
| Coefficient B | 3.50963e+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. | 452.13 | |||
| Temperature range, max. | 761.08 | |||
| η | 0.0006877 | Pa×s | 452.13 | Calculated Property |
| η | 0.0003976 | Pa×s | 486.46 | Calculated Property |
| η | 0.0002471 | Pa×s | 520.79 | Calculated Property |
| η | 0.0001629 | Pa×s | 555.11 | Calculated Property |
| η | 0.0001127 | Pa×s | 589.44 | Calculated Property |
| η | 0.0000812 | Pa×s | 623.77 | Calculated Property |
| η | 0.0000606 | Pa×s | 658.10 | Calculated Property |
| η | 0.0000465 | Pa×s | 692.43 | Calculated Property |
| η | 0.0000366 | Pa×s | 726.75 | Calculated Property |
| η | 0.0000294 | Pa×s | 761.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl tetradecyl ester.
Sources
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