Liu, S.; Cai, S.; Cao, C.; Li, Z. Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes. J. Chem. Inf. Model. 2000, 40, 6, 1337–1348.
Compound
| ID: | 131 | |
|---|---|---|
| Name: | 3,3,4,4-tetramethylhexane | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C10H22/c1-7-9(3,4)10(5,6)8-2/h7-8H2,1-6H3 |
Properties
BP: Boiling point [K]
| Value | Source or prediction |
|---|---|
| 443.65 |
experimental value |
| 439.61 |
Model_16: Table 6A (Training set) |
D: Density at 25C [g/cm^3]
| Value | Source or prediction |
|---|---|
| 778.9 |
experimental value |
| 775.78 |
Model_17: Table 6B (Training set) |
RI: Refraction index at 25C
| Value | Source or prediction |
|---|---|
| 1.4368 |
experimental value |
| 1.435 |
Model_18: Table 6D (Training set) |
HC: Heat capacity at 300K [J*K^-1*mol^-1]
| Value | Source or prediction |
|---|---|
| 238 |
experimental value |
| 234.59 |
Model_9: Table 6I (Training set) |
E: Enthalphy at 300K
| Value | Source or prediction |
|---|---|
| 39.87 |
experimental value |
| 39.01 |
Model_10: Table 6J (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1063728 | US EPA CompTox Dashboard |