1,4-Butanediol

1, 4-butanediol (BDO) name

Its Chinese name is 1, 4-butanediol

English name butane-1,4-diol

4 - hydroxy butanol Chinese alias 2 hydroxy butane | | 1, 4 - butylene glycol

More English nicknames

Physical and chemical properties of 1, 4-butanediol (BDO)

Density 1.0± 0.1g /cm3

Boiling point 228.0±0.0 °C at 760 mmHg

Melting point 20 °C

Molecular formula C4H10O2

Molecular weight 90.121

Flash point 105.9±13.0 °C

Accurate mass 90.068077

PSA 40.46000

LogP minus 1.02

A colorless liquid with viscous appearance

Vapor density 3.1 (vs air)

Vapor pressure 0.0±1.0 mmHg at 25°C

Refractive index 1.441

Storage condition

Store in a cool, ventilated warehouse away from tinder. Keep containers sealed, stored away from oxidants, and away from water sources. Emergency spill treatment equipment and suitable shelter materials should be available. It can be sealed in mild steel, aluminum or copper containers.

Aluminum, stainless steel, galvanized iron or plastic drum packaging, or tank truck according to the provisions of flammable and toxic goods storage and transportation. Because the melting point is as high as 20℃, the tank car should be equipped with heating pipe.

Stability does not decompose at normal temperature and pressure. Avoid contact with oxide and moist moisture. It is hygroscopic and does not corrode metal. Combustible, low toxicity. Toxic. When applied to diseased or injured skin or consumed, it initially appears anesthetic, causing specific pathological changes in the liver and kidneys, followed by sudden death due to central nervous paralysis (without prolonged incubation). Mouse oral LD50210 ~ 420mg/kg. Production equipment should be sealed to prevent leakage, and operators should wear protective equipment. People with skin wounds are strictly prohibited from contacting with this product.

Water soluble Miscible

Molecular structure

1. Molar refractive index: 23.65

2, molar volume (cm3/mol) : 89.5

3. Isotropic volume (90.2K) : 224.7

4. Surface tension (dyne/cm) : 39.6

5. Dielectric constant (20ºC) : 31.1

6. Dipole distance (10-30C·m) : 2.40

7. Polarization (10-24cm3) : 9.37

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :3

5. Number of tautomers: None

6. Topological molecular polar surface area 40.5

7. Number of heavy atoms :6

8. Surface charge :0

9. Complexity :17.5

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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1. Properties: Colorless viscous liquid, acicular crystal at low temperature.

2. Boiling point (ºC,101.3kPa) : 228

3. Melting point (ºC) : 19.9

4. Relative density (g/mL,20/4ºC) : 1.017

5. Relative density (g/mL,25/4ºC) : 1.015

6. Refractive index (n25ºC) : 1.4445

7. Viscosity (mPa·s,20ºC) : 88.8

8. Viscosity (mPa·s,25ºC) : 45.27

9. Flash point (ºC, opening) : > 121

10. Heat of evaporation (KJ/kg) : 576.1

11. Heat of combustion (KJ/mol) : 2518.8

12. Specific heat capacity (KJ/(kg·K),20~75ºC, constant pressure) : 2.41

13. Critical temperature (ºC) : 446

14 Critical pressure (MPa) : 6.2

15 Thermal conductivity (W/(m·K),20ºC) : 0.160

16. Solubility: miscible with water, acetone and alcohol. Paraethyl ether, benzene, halogenated hydrocarbons and other slightly soluble.

17. Refractive index (n20) at room temperature: 1.4462

18. Eccentricity factor: 1.189

19. Solubility parameter (J·cm-3) 0.5:27.958

20. Area of van der Waals (cm2·mol-1) : 8.320×109

21. van der Waals volume (cm3·mol-1) : 57.000

22. Standard heat of combustion (enthalpy) of gas phase (kJ·mol-1) : -2576.5

23. The gas phase standard claims heat (enthalpy)(kJ·mol-1) : -426.7

24. Liquid phase standard heat of combustion (enthalpy)(kJ·mol-1) : -2499.9

25. The liquid phase standard claims heat (enthalpy)(kJ·mol-1) : -503.3

26. Liquid phase standard entropy (J·mol-1·K-1) : 223.4

27. Liquid phase standard hot melt (J·mol-1·K-1) : 241.2