- InChI
- InChI=1S/C22H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-16-26-21(23)18-25-19-22(24)27-17-15-20(2)3/h20H,4-19H2,1-3H3
- InChI Key
- MRHQYGHXKPCHOO-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)COCC(=O)OCC
C(C)C - Molecular Weight1
- 386.57
- 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 | 1.1266 | Relay (1.0) Calculated Property | |
| ΔfG° | -593.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1242.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.447 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 902.34 | kPa | Joback Calculated Property |
| Inp | [3207.00; 3207.00] |
|
|
| Inp | 3207.00 | NIST | |
| Inp | 3207.00 | NIST | |
| Tboil | 642.74 | K | Relay (1.0) Calculated Property |
| Tc | 812.04 | K | Relay (1.0) Calculated Property |
| Tfus | 282.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.313 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1107.00; 1201.63] | J/mol×K | [841.38; 1030.17] |
|
| Cp,gas | 1107.00 | J/mol×K | 841.38 | Joback Calculated Property |
| Cp,gas | 1126.01 | J/mol×K | 872.85 | Joback Calculated Property |
| Cp,gas | 1143.70 | J/mol×K | 904.31 | Joback Calculated Property |
| Cp,gas | 1160.09 | J/mol×K | 935.78 | Joback Calculated Property |
| Cp,gas | 1175.20 | J/mol×K | 967.24 | Joback Calculated Property |
| Cp,gas | 1189.04 | J/mol×K | 998.71 | Joback Calculated Property |
| Cp,gas | 1201.63 | J/mol×K | 1030.17 | Joback Calculated Property |
| η | [0.0000210; 0.0009254] | Pa×s | [429.59; 841.38] |
|
| η | 0.0009254 | Pa×s | 429.59 | Joback Calculated Property |
| η | 0.0003190 | Pa×s | 498.22 | Joback Calculated Property |
| η | 0.0001423 | Pa×s | 566.85 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 635.49 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 704.12 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 772.75 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 841.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-methylbutyl tridecyl ester.
Sources
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