- InChI
- InChI=1S/C21H32O7/c1-4-5-6-7-8-9-10-14-27-19(22)15-26-16-20(23)28-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3
- InChI Key
- YNNSILGZZREMHY-UHFFFAOYSA-N
- Formula
- C21H32O7
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)Oc1c(OC
)cccc1OC - Molecular Weight1
- 396.47
- 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).
- 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 | 1.1585 | Relay (1.0) Calculated Property | |
| ΔfG° | -563.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1199.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.920 | Crippen Calculated Property | |
| McVol | 315.480 | ml/mol | McGowan Calculated Property |
| Pc | 1195.65 | kPa | Joback Calculated Property |
| Tboil | 674.81 | K | Relay (1.0) Calculated Property |
| Tc | 870.05 | K | Relay (1.0) Calculated Property |
| Tfus | 328.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1023.80; 1085.61] | J/mol×K | [936.36; 1147.16] | 
|
| Cp,gas | 1023.80 | J/mol×K | 936.36 | Joback Calculated Property |
| Cp,gas | 1038.18 | J/mol×K | 971.49 | Joback Calculated Property |
| Cp,gas | 1050.96 | J/mol×K | 1006.63 | Joback Calculated Property |
| Cp,gas | 1062.11 | J/mol×K | 1041.76 | Joback Calculated Property |
| Cp,gas | 1071.61 | J/mol×K | 1076.89 | Joback Calculated Property |
| Cp,gas | 1079.45 | J/mol×K | 1112.02 | Joback Calculated Property |
| Cp,gas | 1085.61 | J/mol×K | 1147.16 | Joback Calculated Property |
| η | [0.0000200; 0.0001623] | Pa×s | [588.90; 936.36] |
|
| η | 0.0001623 | Pa×s | 588.90 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 646.81 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 704.72 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 762.63 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 820.54 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 878.45 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 936.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl nonyl ester.
Sources
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