- InChI
- InChI=1S/C25H48O5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-30-25(27)23-28-22-24(26)29-20-18-6-4-2/h3-23H2,1-2H3
- InChI Key
- RXTJTPZXBPXAES-UHFFFAOYSA-N
- Formula
- C25H48O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)COCC(=O)
OCCCCC - Molecular Weight1
- 428.65
- 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 | 1.2705 | Relay (... Calculated Property | |
| ΔfG° | -413.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1290.41 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.94 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -6.60 | Relay (... Calculated Property | |
| logPoct/wat | 6.761 | Crippen Calculated Property | |
| McVol | 383.860 | ml/mol | McGowan Calculated Property |
| Pc | 796.63 | kPa | Joback Calculated Property |
| Inp | [3740.00; 3740.00] |
|
|
| Inp | 3740.00 | NIST | |
| Inp | 3740.00 | NIST | |
| Tboil | 661.44 | K | Relay (... Calculated Property |
| Tc | 833.71 | K | Relay (... Calculated Property |
| Tfus | 312.76 | K | Relay (... Calculated Property |
| Vc | 1.491 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1313.24; 1410.09] | J/mol×K | [946.40; 1165.45] |
|
| Cp,gas | 1313.24 | J/mol×K | 946.40 | Joback Calculated Property |
| Cp,gas | 1333.68 | J/mol×K | 982.91 | Joback Calculated Property |
| Cp,gas | 1352.36 | J/mol×K | 1019.42 | Joback Calculated Property |
| Cp,gas | 1369.31 | J/mol×K | 1055.93 | Joback Calculated Property |
| Cp,gas | 1384.56 | J/mol×K | 1092.43 | Joback Calculated Property |
| Cp,gas | 1398.15 | J/mol×K | 1128.94 | Joback Calculated Property |
| Cp,gas | 1410.09 | J/mol×K | 1165.45 | Joback Calculated Property |
| η | [0.0000186; 0.0003132] | Pa×s | [538.06; 946.40] |
|
| η | 0.0003132 | Pa×s | 538.06 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 606.12 | Joback Calculated Property |
| η | 0.0000835 | Pa×s | 674.17 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 742.23 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 810.29 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 878.34 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 946.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexadecyl pentyl ester.
Sources
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