- InChI
- InChI=1S/C13H24O5/c1-5-6-7-17-11(14)8-16-9-12(15)18-10-13(2,3)4/h5-10H2,1-4H3
- InChI Key
- BDQWQSZWDUICRI-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CCCCOC(=O)COCC(=O)OCC(C)(C)C
- Molecular Weight1
- 260.33
- 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° | -511.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.96 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.936 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | [2028.00; 2028.00] |
|
|
| Inp | 2028.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Tboil | 668.61 | K | Joback Calculated Property |
| Tc | 852.22 | K | Joback Calculated Property |
| Tfus | 405.24 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.16; 679.79] | J/mol×K | [668.61; 852.22] |
|
| Cp,gas | 599.16 | J/mol×K | 668.61 | Joback Calculated Property |
| Cp,gas | 614.53 | J/mol×K | 699.21 | Joback Calculated Property |
| Cp,gas | 629.11 | J/mol×K | 729.81 | Joback Calculated Property |
| Cp,gas | 642.93 | J/mol×K | 760.42 | Joback Calculated Property |
| Cp,gas | 655.98 | J/mol×K | 791.02 | Joback Calculated Property |
| Cp,gas | 668.26 | J/mol×K | 821.62 | Joback Calculated Property |
| Cp,gas | 679.79 | J/mol×K | 852.22 | Joback Calculated Property |
| η | [0.0000894; 0.0011570] | Pa×s | [405.24; 668.61] |
|
| η | 0.0011570 | Pa×s | 405.24 | Joback Calculated Property |
| η | 0.0006130 | Pa×s | 449.13 | Joback Calculated Property |
| η | 0.0003637 | Pa×s | 493.03 | Joback Calculated Property |
| η | 0.0002350 | Pa×s | 536.92 | Joback Calculated Property |
| η | 0.0001622 | Pa×s | 580.82 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 624.72 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 668.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl neopentyl ester.
Sources
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