- InChI
- InChI=1S/C17H32O5/c1-4-5-6-7-8-9-11-21-16(18)13-20-14-17(19)22-12-10-15(2)3/h15H,4-14H2,1-3H3
- InChI Key
- IVTDOLABIWCOBZ-UHFFFAOYSA-N
- Formula
- C17H32O5
- SMILES
- CCCCCCCCOC(=O)COCC(=O)OCCC(C)C
- Molecular Weight1
- 316.43
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9504 | Relay (1.0) Calculated Property | |
| ΔfG° | -635.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1143.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.496 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1232.01 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 607.08 | K | Relay (1.0) Calculated Property |
| Tc | 769.85 | K | Relay (1.0) Calculated Property |
| Tfus | 258.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [806.70; 896.06] | J/mol×K | [726.98; 901.72] |
|
| Cp,gas | 806.70 | J/mol×K | 726.98 | Joback Calculated Property |
| Cp,gas | 823.94 | J/mol×K | 756.10 | Joback Calculated Property |
| Cp,gas | 840.23 | J/mol×K | 785.23 | Joback Calculated Property |
| Cp,gas | 855.59 | J/mol×K | 814.35 | Joback Calculated Property |
| Cp,gas | 870.01 | J/mol×K | 843.47 | Joback Calculated Property |
| Cp,gas | 883.50 | J/mol×K | 872.59 | Joback Calculated Property |
| Cp,gas | 896.06 | J/mol×K | 901.72 | Joback Calculated Property |
| η | [0.0000454; 0.0018647] | Pa×s | [373.24; 726.98] |
|
| η | 0.0018647 | Pa×s | 373.24 | Joback Calculated Property |
| η | 0.0006579 | Pa×s | 432.20 | Joback Calculated Property |
| η | 0.0002981 | Pa×s | 491.15 | Joback Calculated Property |
| η | 0.0001600 | Pa×s | 550.11 | Joback Calculated Property |
| η | 0.0000969 | Pa×s | 609.07 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 668.02 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 726.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 3-methylbutyl octyl ester.
Sources
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