- InChI
- InChI=1S/C12H22O5/c1-4-6-10(3)7-17-12(14)9-15-8-11(13)16-5-2/h10H,4-9H2,1-3H3
- InChI Key
- PCKMDQGHVBYEAB-UHFFFAOYSA-N
- Formula
- C12H22O5
- SMILES
- CCCC(C)COC(=O)COCC(=O)OCC
- Molecular Weight1
- 246.30
- 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° | -525.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 200.690 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [2006.00; 2006.00] |
|
|
| Inp | 2006.00 | NIST | |
| Inp | 2006.00 | NIST | |
| Tboil | 648.52 | K | Joback Calculated Property |
| Tc | 828.30 | K | Joback Calculated Property |
| Tfus | 376.55 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.76; 621.62] | J/mol×K | [648.52; 828.30] |
|
| Cp,gas | 543.76 | J/mol×K | 648.52 | Joback Calculated Property |
| Cp,gas | 558.41 | J/mol×K | 678.48 | Joback Calculated Property |
| Cp,gas | 572.40 | J/mol×K | 708.45 | Joback Calculated Property |
| Cp,gas | 585.72 | J/mol×K | 738.41 | Joback Calculated Property |
| Cp,gas | 598.37 | J/mol×K | 768.38 | Joback Calculated Property |
| Cp,gas | 610.34 | J/mol×K | 798.34 | Joback Calculated Property |
| Cp,gas | 621.62 | J/mol×K | 828.30 | Joback Calculated Property |
| η | [0.0001101; 0.0014862] | Pa×s | [376.55; 648.52] |
|
| η | 0.0014862 | Pa×s | 376.55 | Joback Calculated Property |
| η | 0.0007629 | Pa×s | 421.88 | Joback Calculated Property |
| η | 0.0004458 | Pa×s | 467.21 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 512.53 | Joback Calculated Property |
| η | 0.0001977 | Pa×s | 557.86 | Joback Calculated Property |
| η | 0.0001443 | Pa×s | 603.19 | Joback Calculated Property |
| η | 0.0001101 | Pa×s | 648.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 2-methylpentyl ester.
Sources
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