- InChI
- InChI=1S/C23H36O5/c1-2-3-4-5-6-7-8-12-17-27-22(24)19-26-20-23(25)28-18-13-16-21-14-10-9-11-15-21/h9-11,14-15H,2-8,12-13,16-20H2,1H3
- InChI Key
- NEYYLXNLENETQA-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
CCCCCCCCCCOC(=O)COCC(=O)OCCCc1
ccccc1 - Molecular Weight1
- 392.53
- 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 | 1.1164 | Relay (1.0) Calculated Property | |
| ΔfG° | -470.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1000.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.863 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Pc | 1039.24 | kPa | Joback Calculated Property |
| Inp | [3628.00; 3628.00] |
|
|
| Inp | 3628.00 | NIST | |
| Inp | 3628.00 | NIST | |
| Tboil | 684.17 | K | Relay (1.0) Calculated Property |
| Tc | 866.82 | K | Relay (1.0) Calculated Property |
| Tfus | 296.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.250 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.22; 1122.11] | 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 | 2.43940e+01 | |||
| Coefficient B | 1.93712e+00 | |||
| Coefficient C | -9.58400e-04 | |||
| Coefficient D | 1.19000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 484.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 595.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 694.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 784.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 863.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 933.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 993.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1044.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1087.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1122.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005118; 0.0000375] | Pa×s | [482.28; 765.09] |
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 | -1.46504e+01 | |||
| Coefficient B | 3.41107e+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. | 482.28 | |||
| Temperature range, max. | 765.09 | |||
| η | 0.0005118 | Pa×s | 482.28 | Calculated Property |
| η | 0.0003321 | Pa×s | 513.70 | Calculated Property |
| η | 0.0002265 | Pa×s | 545.13 | Calculated Property |
| η | 0.0001610 | Pa×s | 576.55 | Calculated Property |
| η | 0.0001186 | Pa×s | 607.97 | Calculated Property |
| η | 0.0000900 | Pa×s | 639.40 | Calculated Property |
| η | 0.0000701 | Pa×s | 670.82 | Calculated Property |
| η | 0.0000558 | Pa×s | 702.24 | Calculated Property |
| η | 0.0000454 | Pa×s | 733.67 | Calculated Property |
| η | 0.0000375 | Pa×s | 765.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, decyl 3-phenylpropyl ester.
Sources
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