- InChI
- InChI=1S/C16H30O5/c1-4-6-7-8-10-20-15(17)12-19-13-16(18)21-11-14(3)9-5-2/h14H,4-13H2,1-3H3
- InChI Key
- TWJQITKSUHNDTB-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
- CCCCCCOC(=O)COCC(=O)OCC(C)CCC
- Molecular Weight1
- 302.41
- 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° | -491.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1000.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 3.106 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2492.00; 2492.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Tboil | 740.04 | K | Joback Calculated Property |
| Tc | 919.24 | K | Joback Calculated Property |
| Tfus | 421.63 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.13; 850.30] | J/mol×K | [740.04; 919.24] |
|
| Cp,gas | 764.13 | J/mol×K | 740.04 | Joback Calculated Property |
| Cp,gas | 780.67 | J/mol×K | 769.91 | Joback Calculated Property |
| Cp,gas | 796.34 | J/mol×K | 799.77 | Joback Calculated Property |
| Cp,gas | 811.14 | J/mol×K | 829.64 | Joback Calculated Property |
| Cp,gas | 825.07 | J/mol×K | 859.51 | Joback Calculated Property |
| Cp,gas | 838.12 | J/mol×K | 889.37 | Joback Calculated Property |
| Cp,gas | 850.30 | J/mol×K | 919.24 | Joback Calculated Property |
| η | [0.0000650; 0.0010358] | Pa×s | [421.63; 740.04] |
|
| η | 0.0010358 | Pa×s | 421.63 | Joback Calculated Property |
| η | 0.0005045 | Pa×s | 474.70 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 527.77 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 580.84 | Joback Calculated Property |
| η | 0.0001200 | Pa×s | 633.90 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 686.97 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 740.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 2-methylpentyl ester.
Sources
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