Toluene diisocyanate manufacturer Knowledge 2,4,4-Trimethyl-2-pentene 2,4,4-Trimethyl-2-pentene

2,4,4-Trimethyl-2-pentene 2,4,4-Trimethyl-2-pentene

2,4,4-trimethyl-2-pentene structural formula

Structural formula

Business number 02V7
Molecular formula C8H16
Molecular weight 112.21
label

diisobutylene,

β-Diisobutylene,

(CH3)3CCH=C(CH3)2

Numbering system

CAS number:107-40-4

MDL number:MFCD00008902

EINECS number:203-488-5

RTECS number:None

BRN number:1719492

PubChem number:24889687

Physical property data

1. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -5329.84

2. Density (g/mL, 25℃): 0.72

3. Relative vapor density (g/mL, air=1): >1

4. Melting point (ºC): -106

5. Boiling point ( ºC, normal pressure): 104

6. Solubility parameter (J·cm-3)0.5: 14.980

7. Refractive index (D20): 1.416

8. van der Waals area (cm2·mol-1): 1.229×1010

9. van der Waals volume (cm3·mol– 1): 85.160

10. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -104.89

11. Vapor pressure (mmHg, 37.7ºC): 83

12. Liquid phase standard combustion heat (enthalpy) (kJ·mol-1): -5292.34

13. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -142.38

14. Liquid phase standard entropy (J·mol-1 ·K-1): 311.7

15. Liquid phase standard free energy of formation (kJ·mol-1): 89.81

16. Liquid phase standard hot melt (J·mol-1·K-1): 239.7

17. Explosion Upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 38.97

2. Molar volume (cm3/mol): 154.0

3. Isotonic specific volume (90.2K ): 328.9

4. Surface tension (dyne/cm): 20.7

5. Polarizability (10-24cm3): 15.45

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 87.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used for preparing spices

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/26273

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