- InChI
- InChI=1S/C17H32O5/c1-4-5-6-7-8-9-11-21-16(18)13-20-14-17(19)22-12-10-15(2)3/h15H,4-14H2,1-3H3
- InChI Key
- IVTDOLABIWCOBZ-UHFFFAOYSA-N
- Formula
- C17H32O5
- SMILES
- CCCCCCCCOC(=O)COCC(=O)OCCC(C)C
- Molecular Weight1
- 316.43
- 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° | -483.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1021.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.496 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1306.12 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 762.92 | K | Joback Calculated Property |
| Tc | 943.28 | K | Joback Calculated Property |
| Tfus | 432.90 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.07; 909.76] | J/mol×K | [762.92; 943.28] |
|
| Cp,gas | 822.07 | J/mol×K | 762.92 | Joback Calculated Property |
| Cp,gas | 839.00 | J/mol×K | 792.98 | Joback Calculated Property |
| Cp,gas | 855.01 | J/mol×K | 823.04 | Joback Calculated Property |
| Cp,gas | 870.08 | J/mol×K | 853.10 | Joback Calculated Property |
| Cp,gas | 884.23 | J/mol×K | 883.16 | Joback Calculated Property |
| Cp,gas | 897.46 | J/mol×K | 913.22 | Joback Calculated Property |
| Cp,gas | 909.76 | J/mol×K | 943.28 | Joback Calculated Property |
| η | [0.0000565; 0.0009338] | Pa×s | [432.90; 762.92] |
|
| η | 0.0009338 | Pa×s | 432.90 | Joback Calculated Property |
| η | 0.0004495 | Pa×s | 487.90 | Joback Calculated Property |
| η | 0.0002509 | Pa×s | 542.91 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 597.91 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 652.91 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 707.92 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 762.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-methylbutyl octyl ester.
Sources
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