- InChI
- InChI=1S/C16H30O5/c1-5-7-9-14(8-6-2)21-16(18)12-19-11-15(17)20-10-13(3)4/h13-14H,5-12H2,1-4H3
- InChI Key
- WCWHIFPMHUMXHK-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCCCC(CCC)OC(=O)COCC(=O)OCC(C)
C - 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° | -493.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 3.104 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1410.13 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 739.60 | K | Joback Calculated Property |
| Tc | 920.56 | K | Joback Calculated Property |
| Tfus | 406.63 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.62; 851.49] | J/mol×K | [739.60; 920.56] |
|
| Cp,gas | 764.62 | J/mol×K | 739.60 | Joback Calculated Property |
| Cp,gas | 781.34 | J/mol×K | 769.76 | Joback Calculated Property |
| Cp,gas | 797.17 | J/mol×K | 799.92 | Joback Calculated Property |
| Cp,gas | 812.09 | J/mol×K | 830.08 | Joback Calculated Property |
| Cp,gas | 826.12 | J/mol×K | 860.24 | Joback Calculated Property |
| Cp,gas | 839.25 | J/mol×K | 890.40 | Joback Calculated Property |
| Cp,gas | 851.49 | J/mol×K | 920.56 | Joback Calculated Property |
| η | [0.0000599; 0.0012606] | Pa×s | [406.63; 739.60] |
|
| η | 0.0012606 | Pa×s | 406.63 | Joback Calculated Property |
| η | 0.0005594 | Pa×s | 462.12 | Joback Calculated Property |
| η | 0.0002955 | Pa×s | 517.62 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 573.12 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 628.61 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 684.11 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 739.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isobutyl oct-4-yl ester.
Sources
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