- InChI
- InChI=1S/C17H32O5/c1-6-7-8-9-21-15(18)12-20-13-16(19)22-11-14(2)10-17(3,4)5/h14H,6-13H2,1-5H3
- InChI Key
- MLMDXCIBAOURAE-UHFFFAOYSA-N
- Formula
- C17H32O5
- SMILES
-
CCCCCOC(=O)COCC(=O)OCC(C)CC(C)
(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° | -480.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1324.24 | kPa | Joback Calculated Property |
| Inp | [2445.00; 2445.00] |
|
|
| Inp | 2445.00 | NIST | |
| Inp | 2445.00 | NIST | |
| Tboil | 759.69 | K | Joback Calculated Property |
| Tc | 944.40 | K | Joback Calculated Property |
| Tfus | 435.32 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.69; 911.90] | J/mol×K | [759.69; 944.40] |
|
| Cp,gas | 823.69 | J/mol×K | 759.69 | Joback Calculated Property |
| Cp,gas | 840.79 | J/mol×K | 790.47 | Joback Calculated Property |
| Cp,gas | 856.91 | J/mol×K | 821.26 | Joback Calculated Property |
| Cp,gas | 872.07 | J/mol×K | 852.04 | Joback Calculated Property |
| Cp,gas | 886.28 | J/mol×K | 882.83 | Joback Calculated Property |
| Cp,gas | 899.55 | J/mol×K | 913.61 | Joback Calculated Property |
| Cp,gas | 911.90 | J/mol×K | 944.40 | Joback Calculated Property |
| η | [0.0000462; 0.0009176] | Pa×s | [435.32; 759.69] |
|
| η | 0.0009176 | Pa×s | 435.32 | Joback Calculated Property |
| η | 0.0004234 | Pa×s | 489.38 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 543.44 | Joback Calculated Property |
| η | 0.0001372 | Pa×s | 597.50 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 651.57 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 705.63 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 759.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentyl 2,4,4-trimethylpentyl ester.
Sources
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