- InChI
- InChI=1S/C20H38O5/c1-5-7-9-11-13-17(3)24-19(21)15-23-16-20(22)25-18(4)14-12-10-8-6-2/h17-18H,5-16H2,1-4H3
- InChI Key
- XCSVHQKODNCZAE-UHFFFAOYSA-N
- Formula
- C20H38O5
- SMILES
-
CCCCCCC(C)OC(=O)COCC(=O)OC(C)C
CCCCC - Molecular Weight1
- 358.51
- 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 | 1.0110 | Relay (1.0) Calculated Property | |
| ΔfG° | -613.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1231.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.807 | Crippen Calculated Property | |
| McVol | 313.410 | ml/mol | McGowan Calculated Property |
| Pc | 1021.38 | kPa | Joback Calculated Property |
| Inp | [2749.00; 2749.00] |
|
|
| Inp | 2749.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Tboil | 608.59 | K | Relay (1.0) Calculated Property |
| Tc | 783.40 | K | Relay (1.0) Calculated Property |
| Tfus | 274.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.21; 1086.94] | 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 | 5.76620e+01 | |||
| Coefficient B | 1.74288e+00 | |||
| Coefficient C | -7.70400e-04 | |||
| Coefficient D | 5.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 477.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 580.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 674.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 759.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 834.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 902.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 960.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1010.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1052.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1086.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015960; 0.0000506] | Pa×s | [392.05; 683.86] |
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 | -1.45280e+01 | |||
| Coefficient B | 3.17081e+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. | 392.05 | |||
| Temperature range, max. | 683.86 | |||
| η | 0.0015960 | Pa×s | 392.05 | Calculated Property |
| η | 0.0008605 | Pa×s | 424.47 | Calculated Property |
| η | 0.0005064 | Pa×s | 456.90 | Calculated Property |
| η | 0.0003197 | Pa×s | 489.32 | Calculated Property |
| η | 0.0002138 | Pa×s | 521.74 | Calculated Property |
| η | 0.0001498 | Pa×s | 554.17 | Calculated Property |
| η | 0.0001092 | Pa×s | 586.59 | Calculated Property |
| η | 0.0000823 | Pa×s | 619.02 | Calculated Property |
| η | 0.0000637 | Pa×s | 651.44 | Calculated Property |
| η | 0.0000506 | Pa×s | 683.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(2-octyl) ester.
Sources
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