- InChI
- InChI=1S/C18H34O5/c1-6-7-8-9-10-22-16(19)13-21-14-17(20)23-12-15(2)11-18(3,4)5/h15H,6-14H2,1-5H3
- InChI Key
- JODLFGWCCUEJEX-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCCCCCOC(=O)COCC(=O)OCC(C)CC(C
)(C)C - Molecular Weight1
- 330.46
- 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° | -471.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1050.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.742 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1236.35 | kPa | Joback Calculated Property |
| Inp | [2564.00; 2564.00] |
|
|
| Inp | 2564.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Tboil | 782.57 | K | Joback Calculated Property |
| Tc | 968.21 | K | Joback Calculated Property |
| Tfus | 446.59 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.32; 971.71] | J/mol×K | [782.57; 968.21] |
|
| Cp,gas | 882.32 | J/mol×K | 782.57 | Joback Calculated Property |
| Cp,gas | 899.73 | J/mol×K | 813.51 | Joback Calculated Property |
| Cp,gas | 916.11 | J/mol×K | 844.45 | Joback Calculated Property |
| Cp,gas | 931.48 | J/mol×K | 875.39 | Joback Calculated Property |
| Cp,gas | 945.86 | J/mol×K | 906.33 | Joback Calculated Property |
| Cp,gas | 959.26 | J/mol×K | 937.27 | Joback Calculated Property |
| Cp,gas | 971.71 | J/mol×K | 968.21 | Joback Calculated Property |
| η | [0.0000396; 0.0008126] | Pa×s | [446.59; 782.57] |
|
| η | 0.0008126 | Pa×s | 446.59 | Joback Calculated Property |
| η | 0.0003710 | Pa×s | 502.59 | Joback Calculated Property |
| η | 0.0001983 | Pa×s | 558.58 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 614.58 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 670.58 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 726.57 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 782.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, hexyl 2,4,4-trimethylpentyl ester.
Sources
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