- InChI
- InChI=1S/C26H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-24(27)21-29-22-25(28)31-23-26(2,3)4/h5-23H2,1-4H3
- InChI Key
- YJXFUGFTIMTRNR-UHFFFAOYSA-N
- Formula
- C26H50O5
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)COCC(=O
)OCC(C)(C)C - Molecular Weight1
- 442.67
- 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° | -401.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1210.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.90 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 7.007 | Crippen Calculated Property | |
| McVol | 397.950 | ml/mol | McGowan Calculated Property |
| Pc | 763.10 | kPa | Joback Calculated Property |
| Inp | 3591.00 | NIST | |
| Tboil | 966.05 | K | Joback Calculated Property |
| Tc | 1189.08 | K | Joback Calculated Property |
| Tfus | 551.75 | K | Joback Calculated Property |
| Vc | 1.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1376.87; 1475.24] | J/mol×K | [966.05; 1189.08] | 
|
| Cp,gas | 1376.87 | J/mol×K | 966.05 | Joback Calculated Property |
| Cp,gas | 1397.41 | J/mol×K | 1003.22 | Joback Calculated Property |
| Cp,gas | 1416.21 | J/mol×K | 1040.39 | Joback Calculated Property |
| Cp,gas | 1433.34 | J/mol×K | 1077.56 | Joback Calculated Property |
| Cp,gas | 1448.85 | J/mol×K | 1114.73 | Joback Calculated Property |
| Cp,gas | 1462.80 | J/mol×K | 1151.91 | Joback Calculated Property |
| Cp,gas | 1475.24 | J/mol×K | 1189.08 | Joback Calculated Property |
| η | [0.0000121; 0.0002423] | Pa×s | [551.75; 966.05] |
|
| η | 0.0002423 | Pa×s | 551.75 | Joback Calculated Property |
| η | 0.0001113 | Pa×s | 620.80 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 689.85 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 758.90 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 827.95 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 897.00 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 966.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptadecyl neopentyl ester.
Sources
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