- InChI
- InChI=1S/C23H44O5/c1-3-5-7-9-10-11-12-13-15-17-19-28-23(25)21-26-20-22(24)27-18-16-14-8-6-4-2/h3-21H2,1-2H3
- InChI Key
- IBXQOSDJIJZFPA-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCCCCCCCOC(=O)COCC(=O)OCCC
CCCC - Molecular Weight1
- 400.59
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -430.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1139.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 5.981 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 890.54 | kPa | Joback Calculated Property |
| Inp | [3355.00; 3355.00] |
|
|
| Inp | 3355.00 | NIST | |
| Inp | 3355.00 | NIST | |
| Tboil | 900.64 | K | Joback Calculated Property |
| Tc | 1103.95 | K | Joback Calculated Property |
| Tfus | 515.52 | K | Joback Calculated Property |
| Vc | 1.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1186.66; 1281.67] | J/mol×K | [900.64; 1103.95] |
|
| Cp,gas | 1186.66 | J/mol×K | 900.64 | Joback Calculated Property |
| Cp,gas | 1206.06 | J/mol×K | 934.53 | Joback Calculated Property |
| Cp,gas | 1224.02 | J/mol×K | 968.41 | Joback Calculated Property |
| Cp,gas | 1240.53 | J/mol×K | 1002.30 | Joback Calculated Property |
| Cp,gas | 1255.63 | J/mol×K | 1036.18 | Joback Calculated Property |
| Cp,gas | 1269.34 | J/mol×K | 1070.07 | Joback Calculated Property |
| Cp,gas | 1281.67 | J/mol×K | 1103.95 | Joback Calculated Property |
| η | [0.0000253; 0.0004027] | Pa×s | [515.52; 900.64] |
|
| η | 0.0004027 | Pa×s | 515.52 | Joback Calculated Property |
| η | 0.0001968 | Pa×s | 579.71 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 643.89 | Joback Calculated Property |
| η | 0.0000693 | Pa×s | 708.08 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 772.27 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 836.45 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 900.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, dodecyl heptyl ester.
Sources
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