- InChI
- InChI=1S/C18H26O5/c1-13(2)6-5-9-22-17(19)11-21-12-18(20)23-16-10-14(3)7-8-15(16)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3
- InChI Key
- NKGTXEPZAXTTLA-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
Cc1ccc(C)c(OC(=O)COCC(=O)OCCCC
(C)C)c1 - Molecular Weight1
- 322.40
- 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° | -381.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 3.205 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 822.44 | K | Joback Calculated Property |
| Tc | 1025.37 | K | Joback Calculated Property |
| Tfus | 495.63 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.76; 864.54] | J/mol×K | [822.44; 1025.37] |
|
| Cp,gas | 789.76 | J/mol×K | 822.44 | Joback Calculated Property |
| Cp,gas | 805.07 | J/mol×K | 856.26 | Joback Calculated Property |
| Cp,gas | 819.24 | J/mol×K | 890.08 | Joback Calculated Property |
| Cp,gas | 832.27 | J/mol×K | 923.90 | Joback Calculated Property |
| Cp,gas | 844.17 | J/mol×K | 957.73 | Joback Calculated Property |
| Cp,gas | 854.92 | J/mol×K | 991.55 | Joback Calculated Property |
| Cp,gas | 864.54 | J/mol×K | 1025.37 | Joback Calculated Property |
| η | [0.0000505; 0.0004891] | Pa×s | [495.63; 822.44] |
|
| η | 0.0004891 | Pa×s | 495.63 | Joback Calculated Property |
| η | 0.0002778 | Pa×s | 550.10 | Joback Calculated Property |
| η | 0.0001747 | Pa×s | 604.57 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 659.03 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 713.50 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 767.97 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 822.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl isohexyl ester.
Sources
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