- InChI
- InChI=1S/C22H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-26-20(23)17-25-18-21(24)27-19-22(2,3)4/h5-19H2,1-4H3
- InChI Key
- YJDIYDAJCTVGCW-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)COCC(=O)OCC
(C)(C)C - Molecular Weight1
- 386.57
- 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 | 1.1048 | Relay (1.0) Calculated Property | |
| ΔfG° | -435.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1254.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.447 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 954.96 | kPa | Joback Calculated Property |
| Inp | [3128.00; 3128.00] |
|
|
| Inp | 3128.00 | NIST | |
| Inp | 3128.00 | NIST | |
| Tboil | 641.68 | K | Relay (1.0) Calculated Property |
| Tc | 805.97 | K | Relay (1.0) Calculated Property |
| Tfus | 314.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.316 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1124.45; 1218.13] | J/mol×K | [874.53; 1070.79] |
|
| Cp,gas | 1124.45 | J/mol×K | 874.53 | Joback Calculated Property |
| Cp,gas | 1143.14 | J/mol×K | 907.24 | Joback Calculated Property |
| Cp,gas | 1160.56 | J/mol×K | 939.95 | Joback Calculated Property |
| Cp,gas | 1176.74 | J/mol×K | 972.66 | Joback Calculated Property |
| Cp,gas | 1191.71 | J/mol×K | 1005.37 | Joback Calculated Property |
| Cp,gas | 1205.50 | J/mol×K | 1038.08 | Joback Calculated Property |
| Cp,gas | 1218.13 | J/mol×K | 1070.79 | Joback Calculated Property |
| η | [0.0000231; 0.0004155] | Pa×s | [506.67; 874.53] |
|
| η | 0.0004155 | Pa×s | 506.67 | Joback Calculated Property |
| η | 0.0001979 | Pa×s | 567.98 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 629.29 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 690.60 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 751.91 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 813.22 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 874.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, neopentyl tridecyl ester.
Sources
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