- InChI
- InChI=1S/C16H30O5/c1-6-13(4)14(5)21-16(18)11-19-10-15(17)20-9-7-8-12(2)3/h12-14H,6-11H2,1-5H3
- InChI Key
- IRSWFJQPQMUMLQ-UHFFFAOYSA-N
- Formula
- C16H30O5
- SMILES
-
CCC(C)C(C)OC(=O)COCC(=O)OCCCC(
C)C - Molecular Weight1
- 302.41
- 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 | 0.8359 | Relay (1.0) Calculated Property | |
| ΔfG° | -496.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1164.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.960 | Crippen Calculated Property | |
| McVol | 257.050 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 584.96 | K | Relay (1.0) Calculated Property |
| Tc | 747.47 | K | Relay (1.0) Calculated Property |
| Tfus | 241.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.12; 852.72] | J/mol×K | [739.16; 922.02] |
|
| Cp,gas | 765.12 | J/mol×K | 739.16 | Joback Calculated Property |
| Cp,gas | 782.03 | J/mol×K | 769.64 | Joback Calculated Property |
| Cp,gas | 798.01 | J/mol×K | 800.11 | Joback Calculated Property |
| Cp,gas | 813.08 | J/mol×K | 830.59 | Joback Calculated Property |
| Cp,gas | 827.22 | J/mol×K | 861.06 | Joback Calculated Property |
| Cp,gas | 840.43 | J/mol×K | 891.54 | Joback Calculated Property |
| Cp,gas | 852.72 | J/mol×K | 922.02 | Joback Calculated Property |
| η | [0.0000553; 0.0015736] | Pa×s | [391.63; 739.16] |
|
| η | 0.0015736 | Pa×s | 391.63 | Joback Calculated Property |
| η | 0.0006286 | Pa×s | 449.55 | Joback Calculated Property |
| η | 0.0003096 | Pa×s | 507.47 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 565.39 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 623.32 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 681.24 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 739.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl 3-methylpent-2-yl ester.
Sources
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