- InChI
- InChI=1S/C22H42O5/c1-3-5-7-9-10-11-12-14-16-18-27-22(24)20-25-19-21(23)26-17-15-13-8-6-4-2/h3-20H2,1-2H3
- InChI Key
- NZKNFHUCOQTSQD-UHFFFAOYSA-N
- Formula
- C22H42O5
- SMILES
-
CCCCCCCCCCCOC(=O)COCC(=O)OCCCC
CCC - Molecular Weight1
- 386.57
- 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° | -438.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1119.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 5.591 | Crippen Calculated Property | |
| McVol | 341.590 | ml/mol | McGowan Calculated Property |
| Pc | 943.84 | kPa | Joback Calculated Property |
| Inp | [3246.00; 3246.00] |
|
|
| Inp | 3246.00 | NIST | |
| Inp | 3246.00 | NIST | |
| Tboil | 877.76 | K | Joback Calculated Property |
| Tc | 1074.82 | K | Joback Calculated Property |
| Tfus | 504.25 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1124.11; 1218.02] | J/mol×K | [877.76; 1074.82] |
|
| Cp,gas | 1124.11 | J/mol×K | 877.76 | Joback Calculated Property |
| Cp,gas | 1143.04 | J/mol×K | 910.60 | Joback Calculated Property |
| Cp,gas | 1160.64 | J/mol×K | 943.45 | Joback Calculated Property |
| Cp,gas | 1176.92 | J/mol×K | 976.29 | Joback Calculated Property |
| Cp,gas | 1191.91 | J/mol×K | 1009.14 | Joback Calculated Property |
| Cp,gas | 1205.60 | J/mol×K | 1041.98 | Joback Calculated Property |
| Cp,gas | 1218.02 | J/mol×K | 1074.82 | Joback Calculated Property |
| η | [0.0000295; 0.0004546] | Pa×s | [504.25; 877.76] |
|
| η | 0.0004546 | Pa×s | 504.25 | Joback Calculated Property |
| η | 0.0002244 | Pa×s | 566.50 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 628.75 | Joback Calculated Property |
| η | 0.0000800 | Pa×s | 691.00 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 753.26 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 815.51 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 877.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl undecyl ester.
Sources
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