- InChI
- InChI=1S/C23H44O5/c1-6-7-8-9-10-11-12-13-14-15-27-21(24)18-26-19-22(25)28-17-20(2)16-23(3,4)5/h20H,6-19H2,1-5H3
- InChI Key
- LAUHYMTYMWLVHX-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCCCCCCOC(=O)COCC(=O)OCC(C
)CC(C)(C)C - Molecular Weight1
- 400.59
- 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).
- 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 | 1.0844 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1287.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.692 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 905.06 | kPa | Joback Calculated Property |
| Tboil | 649.85 | K | Relay (1.0) Calculated Property |
| Tc | 812.48 | K | Relay (1.0) Calculated Property |
| Tfus | 278.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.23; 1281.71] | J/mol×K | [896.97; 1098.15] | 
|
| Cp,gas | 1187.23 | J/mol×K | 896.97 | Joback Calculated Property |
| Cp,gas | 1206.29 | J/mol×K | 930.50 | Joback Calculated Property |
| Cp,gas | 1223.97 | J/mol×K | 964.03 | Joback Calculated Property |
| Cp,gas | 1240.33 | J/mol×K | 997.56 | Joback Calculated Property |
| Cp,gas | 1255.37 | J/mol×K | 1031.09 | Joback Calculated Property |
| Cp,gas | 1269.16 | J/mol×K | 1064.62 | Joback Calculated Property |
| Cp,gas | 1281.71 | J/mol×K | 1098.15 | Joback Calculated Property |
| η | [0.0000180; 0.0004222] | Pa×s | [502.94; 896.97] |
|
| η | 0.0004222 | Pa×s | 502.94 | Joback Calculated Property |
| η | 0.0001842 | Pa×s | 568.61 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 634.28 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 699.95 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 765.63 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 831.30 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 896.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,4,4-trimethylpentyl undecyl ester.
Sources
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