- InChI
- InChI=1S/C18H26O5/c1-15(2)7-6-11-22-17(19)13-21-14-18(20)23-12-10-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3
- InChI Key
- LEHYWCKTYWWALT-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CC(C)CCCOC(=O)COCC(=O)OCCc1ccc
cc1 - 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° | -362.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -805.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.27 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [2961.00; 2961.00] |
|
|
| Inp | 2961.00 | NIST | |
| Inp | 2961.00 | NIST | |
| Tboil | 812.48 | K | Joback Calculated Property |
| Tc | 1013.76 | K | Joback Calculated Property |
| Tfus | 470.59 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.30; 867.46] | J/mol×K | [812.48; 1013.76] |
|
| Cp,gas | 791.30 | J/mol×K | 812.48 | Joback Calculated Property |
| Cp,gas | 806.79 | J/mol×K | 846.03 | Joback Calculated Property |
| Cp,gas | 821.15 | J/mol×K | 879.57 | Joback Calculated Property |
| Cp,gas | 834.39 | J/mol×K | 913.12 | Joback Calculated Property |
| Cp,gas | 846.51 | J/mol×K | 946.66 | Joback Calculated Property |
| Cp,gas | 857.53 | J/mol×K | 980.21 | Joback Calculated Property |
| Cp,gas | 867.46 | J/mol×K | 1013.76 | Joback Calculated Property |
| η | [0.0000495; 0.0006831] | Pa×s | [470.59; 812.48] |
|
| η | 0.0006831 | Pa×s | 470.59 | Joback Calculated Property |
| η | 0.0003483 | Pa×s | 527.57 | Joback Calculated Property |
| η | 0.0002025 | Pa×s | 584.55 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 641.53 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 698.52 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 755.50 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 812.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, isohexyl phenethyl ester.
Sources
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