- InChI
- InChI=1S/C19H36O5/c1-6-7-8-9-10-11-23-17(20)14-22-15-18(21)24-13-16(2)12-19(3,4)5/h16H,6-15H2,1-5H3
- InChI Key
- XMBCPBWTMYLROH-UHFFFAOYSA-N
- Formula
- C19H36O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)OCC(C)CC(
C)(C)C - Molecular Weight1
- 344.49
- 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° | -463.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 4.132 | Crippen Calculated Property | |
| McVol | 299.320 | ml/mol | McGowan Calculated Property |
| Pc | 1156.93 | kPa | Joback Calculated Property |
| Inp | [2686.00; 2686.00] |
|
|
| Inp | 2686.00 | NIST | |
| Inp | 2686.00 | NIST | |
| Tboil | 805.45 | K | Joback Calculated Property |
| Tc | 992.66 | K | Joback Calculated Property |
| Tfus | 457.86 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [941.83; 1032.30] | J/mol×K | [805.45; 992.66] |
|
| Cp,gas | 941.83 | J/mol×K | 805.45 | Joback Calculated Property |
| Cp,gas | 959.54 | J/mol×K | 836.65 | Joback Calculated Property |
| Cp,gas | 976.17 | J/mol×K | 867.85 | Joback Calculated Property |
| Cp,gas | 991.75 | J/mol×K | 899.06 | Joback Calculated Property |
| Cp,gas | 1006.28 | J/mol×K | 930.26 | Joback Calculated Property |
| Cp,gas | 1019.79 | J/mol×K | 961.46 | Joback Calculated Property |
| Cp,gas | 1032.30 | J/mol×K | 992.66 | Joback Calculated Property |
| η | [0.0000339; 0.0007172] | Pa×s | [457.86; 805.45] |
|
| η | 0.0007172 | Pa×s | 457.86 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 515.79 | Joback Calculated Property |
| η | 0.0001720 | Pa×s | 573.72 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 631.65 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 689.59 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 747.52 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 805.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl 2,4,4-trimethylpentyl ester.
Sources
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