- InChI
- InChI=1S/C21H40O5/c1-5-6-7-8-9-10-11-12-13-14-15-25-19(22)16-24-17-20(23)26-18-21(2,3)4/h5-18H2,1-4H3
- InChI Key
- VNCPMPLZWOGOLO-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCCCCCCCCOC(=O)COCC(=O)OCC(
C)(C)C - Molecular Weight1
- 372.54
- 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° | -444.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1107.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 5.056 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1014.24 | kPa | Joback Calculated Property |
| Inp | [3000.00; 3000.00] |
|
|
| Inp | 3000.00 | NIST | |
| Inp | 3000.00 | NIST | |
| Tboil | 851.65 | K | Joback Calculated Property |
| Tc | 1043.69 | K | Joback Calculated Property |
| Tfus | 495.40 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.72; 1155.23] | J/mol×K | [851.65; 1043.69] |
|
| Cp,gas | 1062.72 | J/mol×K | 851.65 | Joback Calculated Property |
| Cp,gas | 1081.03 | J/mol×K | 883.66 | Joback Calculated Property |
| Cp,gas | 1098.15 | J/mol×K | 915.66 | Joback Calculated Property |
| Cp,gas | 1114.10 | J/mol×K | 947.67 | Joback Calculated Property |
| Cp,gas | 1128.92 | J/mol×K | 979.68 | Joback Calculated Property |
| Cp,gas | 1142.62 | J/mol×K | 1011.68 | Joback Calculated Property |
| Cp,gas | 1155.23 | J/mol×K | 1043.69 | Joback Calculated Property |
| η | [0.0000271; 0.0004724] | Pa×s | [495.40; 851.65] |
|
| η | 0.0004724 | Pa×s | 495.40 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 554.77 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 614.15 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 673.52 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 732.90 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 792.27 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 851.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, dodecyl neopentyl ester.
Sources
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