- InChI
- InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-27-22(24)19-26-20-23(25)28-18-15-16-21(2)3/h21H,4-20H2,1-3H3
- InChI Key
- XKBLGNONVJUXJT-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)COCC(=O)OCC
CC(C)C - Molecular Weight1
- 400.60
- 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 | 1.1624 | Relay (1.0) Calculated Property | |
| ΔfG° | -585.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1266.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.837 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 852.47 | kPa | Joback Calculated Property |
| Inp | [3440.00; 3440.00] |
|
|
| Inp | 3440.00 | NIST | |
| Inp | 3440.00 | NIST | |
| Tboil | 649.83 | K | Relay (1.0) Calculated Property |
| Tc | 819.79 | K | Relay (1.0) Calculated Property |
| Tfus | 289.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.364 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.19; 1264.62] | J/mol×K | [864.26; 1058.24] |
|
| Cp,gas | 1169.19 | J/mol×K | 864.26 | Joback Calculated Property |
| Cp,gas | 1188.59 | J/mol×K | 896.59 | Joback Calculated Property |
| Cp,gas | 1206.57 | J/mol×K | 928.92 | Joback Calculated Property |
| Cp,gas | 1223.14 | J/mol×K | 961.25 | Joback Calculated Property |
| Cp,gas | 1238.32 | J/mol×K | 993.58 | Joback Calculated Property |
| Cp,gas | 1252.15 | J/mol×K | 1025.91 | Joback Calculated Property |
| Cp,gas | 1264.62 | J/mol×K | 1058.24 | Joback Calculated Property |
| η | [0.0000179; 0.0007985] | Pa×s | [440.86; 864.26] |
|
| η | 0.0007985 | Pa×s | 440.86 | Joback Calculated Property |
| η | 0.0002742 | Pa×s | 511.43 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 581.99 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 652.56 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 723.13 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 793.69 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 864.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl tridecyl ester.
Sources
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