- InChI
- InChI=1S/C18H34O5/c1-14(2)7-6-8-16(5)9-10-22-17(19)12-21-13-18(20)23-11-15(3)4/h14-16H,6-13H2,1-5H3
- InChI Key
- ZSLBLPWDUXONMC-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CC(C)CCCC(C)CCOC(=O)COCC(=O)OC
C(C)C - Molecular Weight1
- 330.46
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1197.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.598 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1165.63 | kPa | Joback Calculated Property |
| Inp | [2577.00; 2577.00] |
|
|
| Inp | 2577.00 | NIST | |
| Inp | 2577.00 | NIST | |
| Tboil | 610.76 | K | Relay (1.0) Calculated Property |
| Tc | 770.79 | K | Relay (1.0) Calculated Property |
| Tfus | 246.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.03; 957.83] | J/mol×K | [748.98; 928.01] |
|
| Cp,gas | 866.03 | J/mol×K | 748.98 | Joback Calculated Property |
| Cp,gas | 883.93 | J/mol×K | 778.82 | Joback Calculated Property |
| Cp,gas | 900.79 | J/mol×K | 808.66 | Joback Calculated Property |
| Cp,gas | 916.60 | J/mol×K | 838.49 | Joback Calculated Property |
| Cp,gas | 931.37 | J/mol×K | 868.33 | Joback Calculated Property |
| Cp,gas | 945.11 | J/mol×K | 898.17 | Joback Calculated Property |
| Cp,gas | 957.83 | J/mol×K | 928.01 | Joback Calculated Property |
| η | [0.0000332; 0.0029504] | Pa×s | [354.51; 748.98] |
|
| η | 0.0029504 | Pa×s | 354.51 | Joback Calculated Property |
| η | 0.0007781 | Pa×s | 420.25 | Joback Calculated Property |
| η | 0.0002943 | Pa×s | 486.00 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 551.75 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 617.49 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 683.24 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 748.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3,7-dimethyloctyl isobutyl ester.
Sources
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