- InChI
- InChI=1S/C26H50O4/c1-7-17-21(5)23(9-3)29-25(27)19-15-13-11-12-14-16-20-26(28)30-24(10-4)22(6)18-8-2/h21-24H,7-20H2,1-6H3
- InChI Key
- MXDDGCDWTPVWPJ-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCC(C)C(CC)OC(=O)CCCCCCCCC(=O
)OC(CC)C(C)CCC - Molecular Weight1
- 426.67
- 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° | -309.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1090.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.23 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.623 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 775.91 | kPa | Joback Calculated Property |
| Inp | [2360.00; 2360.00] |
|
|
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Tboil | 945.10 | K | Joback Calculated Property |
| Tc | 1159.56 | K | Joback Calculated Property |
| Tfus | 467.10 | K | Joback Calculated Property |
| Vc | 1.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1346.69; 1447.31] | J/mol×K | [945.10; 1159.56] |
|
| Cp,gas | 1346.69 | J/mol×K | 945.10 | Joback Calculated Property |
| Cp,gas | 1367.44 | J/mol×K | 980.84 | Joback Calculated Property |
| Cp,gas | 1386.54 | J/mol×K | 1016.59 | Joback Calculated Property |
| Cp,gas | 1404.03 | J/mol×K | 1052.33 | Joback Calculated Property |
| Cp,gas | 1419.96 | J/mol×K | 1088.07 | Joback Calculated Property |
| Cp,gas | 1434.37 | J/mol×K | 1123.82 | Joback Calculated Property |
| Cp,gas | 1447.31 | J/mol×K | 1159.56 | Joback Calculated Property |
| η | [0.0000149; 0.0007744] | Pa×s | [467.10; 945.10] |
|
| η | 0.0007744 | Pa×s | 467.10 | Joback Calculated Property |
| η | 0.0002483 | Pa×s | 546.77 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 626.43 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 706.10 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 785.77 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 865.43 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 945.10 | Joback Calculated Property |
Similar Compounds
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Sources
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